CID 510654

Chembl396244

Structural Information

Molecular Formula
C17H14Cl2N2O3S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3Cl)Cl)C(=O)N)C
InChI
InChI=1S/C17H14Cl2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKey
JWDOZWKIUFPPSM-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

396.01022 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01750 188.2
[M+Na]+ 418.99944 201.1
[M-H]- 395.00294 194.4
[M+NH4]+ 414.04404 202.6
[M+K]+ 434.97338 193.0
[M+H-H2O]+ 379.00748 183.7
[M+HCOO]- 441.00842 194.9
[M+CH3COO]- 455.02407 216.8
[M+Na-2H]- 416.98489 187.5
[M]+ 396.00967 195.6
[M]- 396.01077 195.6
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