PubChemLite - Pazopanib (C21H23N7O2S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N

InChI

InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)

InChIKey

CUIHSIWYWATEQL-UHFFFAOYSA-N

Compound name

5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide

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]+	438.17068	201.9
[M+Na]+	460.15262	215.6
[M+NH4]+	455.19722	207.1
[M+K]+	476.12656	209.9
[M-H]-	436.15612	207.3
[M+Na-2H]-	458.13807	210.5
[M]+	437.16285	205.8
[M]-	437.16395	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.17068

201.9

[M+Na]+

460.15262

215.6

[M+NH4]+

455.19722

207.1

[M+K]+

476.12656

209.9

[M-H]-

436.15612

207.3

[M+Na-2H]-

458.13807

210.5

[M]+

437.16285

205.8

[M]-

437.16395

205.8

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

Pazopanib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe