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]+	438.170676	205.8
[M+Na]+	460.152618	216.5
[M-H]-	436.156124	214.3
[M+NH4]+	455.197223	213.3
[M+K]+	476.126558	209.8
[M+H-H2O]+	420.160660	195.6
[M+HCOO]-	482.161601	222.7
[M+CH3COO]-	496.177251	215.0
[M+Na-2H]-	458.138066	209.4
[M]+	437.16285142	211.5
[M]-	437.16394858	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.170676

205.8

[M+Na]+

460.152618

216.5

[M-H]-

436.156124

214.3

[M+NH4]+

455.197223

213.3

[M+K]+

476.126558

209.8

[M+H-H2O]+

420.160660

195.6

[M+HCOO]-

482.161601

222.7

[M+CH3COO]-

496.177251

215.0

[M+Na-2H]-

458.138066

209.4

[M]+

437.16285142

211.5

[M]-

437.16394858

211.5

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