CID 3011189

Chembl345702

Structural Information

Molecular Formula
C15H12Cl2N4O3S
SMILES
CC(=O)NC1=CC(=CC2=C(NN=C12)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12Cl2N4O3S/c1-8(22)18-13-7-10(6-12-14(13)19-20-15(12)17)21-25(23,24)11-4-2-9(16)3-5-11/h2-7,21H,1H3,(H,18,22)(H,19,20)
InChIKey
LSNKWEWHGABPNH-UHFFFAOYSA-N
Compound name
N-[3-chloro-5-[(4-chlorophenyl)sulfonylamino]-2H-indazol-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.0007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00798 186.0
[M+Na]+ 420.98992 197.2
[M-H]- 396.99342 190.9
[M+NH4]+ 416.03452 198.4
[M+K]+ 436.96386 189.6
[M+H-H2O]+ 380.99796 180.0
[M+HCOO]- 442.99890 193.8
[M+CH3COO]- 457.01455 216.1
[M+Na-2H]- 418.97537 189.5
[M]+ 398.00015 192.5
[M]- 398.00125 192.5
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.