PubChemLite - Gsk343 (C31H39N7O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)

InChIKey

ULNXAWLQFZMIHX-UHFFFAOYSA-N

Compound name

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-propan-2-ylindazole-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]+	542.32378	239.6
[M+Na]+	564.30572	245.2
[M-H]-	540.30922	244.5
[M+NH4]+	559.35032	237.9
[M+K]+	580.27966	235.4
[M+H-H2O]+	524.31376	225.2
[M+HCOO]-	586.31470	247.7
[M+CH3COO]-	600.33035	242.9
[M+Na-2H]-	562.29117	234.0
[M]+	541.31595	239.3
[M]-	541.31705	239.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

542.32378

239.6

[M+Na]+

564.30572

245.2

[M-H]-

540.30922

244.5

[M+NH4]+

559.35032

237.9

[M+K]+

580.27966

235.4

[M+H-H2O]+

524.31376

225.2

[M+HCOO]-

586.31470

247.7

[M+CH3COO]-

600.33035

242.9

[M+Na-2H]-

562.29117

234.0

[M]+

541.31595

239.3

[M]-

541.31705

239.3

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

Gsk343

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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