CID 45748

Dehydroindapamide

Structural Information

Molecular Formula
C16H14ClN3O3S
SMILES
CC1=CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H14ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)
InChIKey
LWCDXWWLUHMMJI-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-methylindol-1-yl)-3-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

363.04443 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05171 182.0
[M+Na]+ 386.03365 193.2
[M-H]- 362.03715 189.5
[M+NH4]+ 381.07825 197.1
[M+K]+ 402.00759 186.7
[M+H-H2O]+ 346.04169 175.8
[M+HCOO]- 408.04263 196.7
[M+CH3COO]- 422.05828 214.0
[M+Na-2H]- 384.01910 185.0
[M]+ 363.04388 188.2
[M]- 363.04498 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe