CID 506875

Chembl312251

Structural Information

Molecular Formula
C15H11Cl2N3O3S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)N
InChI
InChI=1S/C15H11Cl2N3O3S/c16-7-2-4-11-9(5-7)14(13(20-11)15(19)21)24(22,23)12-6-8(17)1-3-10(12)18/h1-6,20H,18H2,(H2,19,21)
InChIKey
IJIHLBAVXKPDGA-UHFFFAOYSA-N
Compound name
3-(2-amino-5-chlorophenyl)sulfonyl-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

382.9898 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.99708 183.5
[M+Na]+ 405.97902 195.5
[M-H]- 381.98252 189.0
[M+NH4]+ 401.02362 197.5
[M+K]+ 421.95296 187.4
[M+H-H2O]+ 365.98706 178.9
[M+HCOO]- 427.98800 191.3
[M+CH3COO]- 442.00365 214.5
[M+Na-2H]- 403.96447 184.3
[M]+ 382.98925 188.3
[M]- 382.99035 188.3
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.