PubChemLite - N-[(6-methyl-2-oxo-4-propyl-1h-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide (C33H43N7O2)

Structural Information

Molecular Formula

SMILES

CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C

InChI

InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)27-16-26(17-30-29(27)20-36-40(30)22(4)5)25-9-10-31(34-18-25)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)

InChIKey

DPJNKUOXBZSZAI-UHFFFAOYSA-N

Compound name

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	570.35512	245.9
[M+Na]+	592.33706	250.2
[M-H]-	568.34056	250.6
[M+NH4]+	587.38166	243.0
[M+K]+	608.31100	240.8
[M+H-H2O]+	552.34510	231.6
[M+HCOO]-	614.34604	252.5
[M+CH3COO]-	628.36169	248.4
[M+Na-2H]-	590.32251	238.7
[M]+	569.34729	245.8
[M]-	569.34839	245.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.35512

245.9

[M+Na]+

592.33706

250.2

[M-H]-

568.34056

250.6

[M+NH4]+

587.38166

243.0

[M+K]+

608.31100

240.8

[M+H-H2O]+

552.34510

231.6

[M+HCOO]-

614.34604

252.5

[M+CH3COO]-

628.36169

248.4

[M+Na-2H]-

590.32251

238.7

[M]+

569.34729

245.8

[M]-

569.34839

245.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[(6-methyl-2-oxo-4-propyl-1h-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe