CID 3011201

Chembl154614

Structural Information

Molecular Formula
C22H22ClN5O2S
SMILES
CC(C)CNC1=CC(=CC2=C(NN=C12)Cl)NS(=O)(=O)C3=CC=CC(=C3)C4=CC=NC=C4
InChI
InChI=1S/C22H22ClN5O2S/c1-14(2)13-25-20-12-17(11-19-21(20)26-27-22(19)23)28-31(29,30)18-5-3-4-16(10-18)15-6-8-24-9-7-15/h3-12,14,25,28H,13H2,1-2H3,(H,26,27)
InChIKey
FSEOGVZURXHECV-UHFFFAOYSA-N
Compound name
N-[3-chloro-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.1183 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.12558 205.1
[M+Na]+ 478.10752 214.3
[M-H]- 454.11102 211.7
[M+NH4]+ 473.15212 212.8
[M+K]+ 494.08146 205.6
[M+H-H2O]+ 438.11556 196.0
[M+HCOO]- 500.11650 215.3
[M+CH3COO]- 514.13215 213.3
[M+Na-2H]- 476.09297 208.6
[M]+ 455.11775 210.3
[M]- 455.11885 210.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.