CID 510652

Chembl231564

Structural Information

Molecular Formula
C15H10Cl2N2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=CC(=C(C=C32)Cl)Cl)C(=O)N
InChI
InChI=1S/C15H10Cl2N2O3S/c16-10-6-9-12(7-11(10)17)19-13(15(18)20)14(9)23(21,22)8-4-2-1-3-5-8/h1-7,19H,(H2,18,20)
InChIKey
WSIPBXSTIZJLJU-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5,6-dichloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.9789 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.98618 179.2
[M+Na]+ 390.96812 191.4
[M-H]- 366.97162 185.0
[M+NH4]+ 386.01272 194.2
[M+K]+ 406.94206 183.5
[M+H-H2O]+ 350.97616 174.5
[M+HCOO]- 412.97710 186.7
[M+CH3COO]- 426.99275 190.3
[M+Na-2H]- 388.95357 180.8
[M]+ 367.97835 185.2
[M]- 367.97945 185.2
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.