CID 506869

Chembl263503

Structural Information

Molecular Formula
C15H10Cl2N2O3S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)Cl
InChI
InChI=1S/C15H10Cl2N2O3S/c16-8-1-4-10(5-2-8)23(21,22)14-11-7-9(17)3-6-12(11)19-13(14)15(18)20/h1-7,19H,(H2,18,20)
InChIKey
JWRVAQSHXHPOHJ-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
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

patents stripe