CID 506872

540740-92-9

Structural Information

Molecular Formula
C17H15ClN2O3S
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)C
InChI
InChI=1S/C17H15ClN2O3S/c1-9-3-6-14(10(2)7-9)24(22,23)16-12-8-11(18)4-5-13(12)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
InChIKey
DVKJMWLZPHIJIH-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

362.0492 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05648 182.4
[M+Na]+ 385.03842 194.4
[M-H]- 361.04192 188.8
[M+NH4]+ 380.08302 197.4
[M+K]+ 401.01236 186.9
[M+H-H2O]+ 345.04646 176.9
[M+HCOO]- 407.04740 194.2
[M+CH3COO]- 421.06305 211.4
[M+Na-2H]- 383.02387 183.0
[M]+ 362.04865 188.3
[M]- 362.04975 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.