PubChemLite - Gsk2795039 (C23H26N6O2S)

Structural Information

Molecular Formula

SMILES

CC(C)N1C=C(C2=C(C=CN=C21)NS(=O)(=O)C3=NN(C=C3)C)C4=CC5=C(CCN5C)C=C4

InChI

InChI=1S/C23H26N6O2S/c1-15(2)29-14-18(17-6-5-16-8-11-27(3)20(16)13-17)22-19(7-10-24-23(22)29)26-32(30,31)21-9-12-28(4)25-21/h5-7,9-10,12-15H,8,11H2,1-4H3,(H,24,26)

InChIKey

FMWVTCZKCXPKFW-UHFFFAOYSA-N

Compound name

1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-3-sulfonamide

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]+	451.19108	210.3
[M+Na]+	473.17302	221.6
[M-H]-	449.17652	218.9
[M+NH4]+	468.21762	221.1
[M+K]+	489.14696	215.8
[M+H-H2O]+	433.18106	203.0
[M+HCOO]-	495.18200	223.1
[M+CH3COO]-	509.19765	219.6
[M+Na-2H]-	471.15847	207.1
[M]+	450.18325	217.7
[M]-	450.18435	217.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.19108

210.3

[M+Na]+

473.17302

221.6

[M-H]-

449.17652

218.9

[M+NH4]+

468.21762

221.1

[M+K]+

489.14696

215.8

[M+H-H2O]+

433.18106

203.0

[M+HCOO]-

495.18200

223.1

[M+CH3COO]-

509.19765

219.6

[M+Na-2H]-

471.15847

207.1

[M]+

450.18325

217.7

[M]-

450.18435

217.7

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

Gsk2795039

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe