CID 72942038

Pazopanib metabolite m26

Structural Information

Molecular Formula
C21H23N7O3S
SMILES
CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)NC4=CC(=C(C=C4)CO)S(=O)(=O)N
InChI
InChI=1S/C21H23N7O3S/c1-13-17-7-6-16(11-18(17)26-28(13)3)27(2)20-8-9-23-21(25-20)24-15-5-4-14(12-29)19(10-15)32(22,30)31/h4-11,29H,12H2,1-3H3,(H2,22,30,31)(H,23,24,25)
InChIKey
FHOXOPMJIMHUOC-UHFFFAOYSA-N
Compound name
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-(hydroxymethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

453.1583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.16558 204.6
[M+Na]+ 476.14752 217.2
[M+NH4]+ 471.19212 208.8
[M+K]+ 492.12146 212.5
[M-H]- 452.15102 209.0
[M+Na-2H]- 474.13297 212.2
[M]+ 453.15775 207.9
[M]- 453.15885 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.