PubChemLite - 3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide (C24H25N5O)

Structural Information

Molecular Formula

SMILES

CC1=NN(C2=CC(=NC=C12)N[C@@H](C)C3=CC=CC=C3)C4=CC=CC(=C4)CCC(=O)N

InChI

InChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)/t16-/m0/s1

InChIKey

ZFGCLYUGFRNYFE-INIZCTEOSA-N

Compound name

3-[3-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide

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]+	400.21318	198.2
[M+Na]+	422.19512	205.1
[M-H]-	398.19862	205.0
[M+NH4]+	417.23972	206.6
[M+K]+	438.16906	197.8
[M+H-H2O]+	382.20316	186.5
[M+HCOO]-	444.20410	218.0
[M+CH3COO]-	458.21975	206.6
[M+Na-2H]-	420.18057	199.9
[M]+	399.20535	199.3
[M]-	399.20645	199.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.21318

198.2

[M+Na]+

422.19512

205.1

[M-H]-

398.19862

205.0

[M+NH4]+

417.23972

206.6

[M+K]+

438.16906

197.8

[M+H-H2O]+

382.20316

186.5

[M+HCOO]-

444.20410

218.0

[M+CH3COO]-

458.21975

206.6

[M+Na-2H]-

420.18057

199.9

[M]+

399.20535

199.3

[M]-

399.20645

199.3

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

3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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