CID 3011190

Chembl349108

Structural Information

Molecular Formula
C17H18Cl2N4O2S
SMILES
CC(C)CNC1=CC(=CC2=C(NN=C12)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H18Cl2N4O2S/c1-10(2)9-20-15-8-12(7-14-16(15)21-22-17(14)19)23-26(24,25)13-5-3-11(18)4-6-13/h3-8,10,20,23H,9H2,1-2H3,(H,21,22)
InChIKey
VYBSLMWVJPILSL-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-chloro-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.05276 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06004 192.0
[M+Na]+ 435.04198 202.2
[M-H]- 411.04548 196.4
[M+NH4]+ 430.08658 203.9
[M+K]+ 451.01592 194.1
[M+H-H2O]+ 395.05002 185.6
[M+HCOO]- 457.05096 198.7
[M+CH3COO]- 471.06661 221.0
[M+Na-2H]- 433.02743 194.3
[M]+ 412.05221 198.5
[M]- 412.05331 198.5
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.