CID 26618

Xipamide

Structural Information

Molecular Formula
C15H15ClN2O4S
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N
InChI
InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)
InChIKey
MTZBBNMLMNBNJL-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

114
References

9271
Patents

354.0441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05138 177.1
[M+Na]+ 377.03332 186.3
[M-H]- 353.03682 183.1
[M+NH4]+ 372.07792 190.3
[M+K]+ 393.00726 180.2
[M+H-H2O]+ 337.04136 171.1
[M+HCOO]- 399.04230 189.9
[M+CH3COO]- 413.05795 212.5
[M+Na-2H]- 375.01877 177.7
[M]+ 354.04355 180.9
[M]- 354.04465 180.9
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