CID 506873

5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1h-indole-2-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

13
References

18
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

patents stripe