CID 3011207

Chembl157317

Structural Information

Molecular Formula
C23H23ClN4O2S
SMILES
CC(C)CNC1=CC(=CC2=C(NN=C12)Cl)NS(=O)(=O)C3=CC=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H23ClN4O2S/c1-15(2)14-25-21-13-18(12-20-22(21)26-27-23(20)24)28-31(29,30)19-10-6-9-17(11-19)16-7-4-3-5-8-16/h3-13,15,25,28H,14H2,1-2H3,(H,26,27)
InChIKey
INFOBXBCYAIDNC-UHFFFAOYSA-N
Compound name
N-[3-chloro-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.12302 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.13030 206.1
[M+Na]+ 477.11224 214.9
[M-H]- 453.11574 213.7
[M+NH4]+ 472.15684 215.2
[M+K]+ 493.08618 206.2
[M+H-H2O]+ 437.12028 197.5
[M+HCOO]- 499.12122 217.3
[M+CH3COO]- 513.13687 214.5
[M+Na-2H]- 475.09769 209.0
[M]+ 454.12247 211.2
[M]- 454.12357 211.2
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.