CID 72118

Besulpamide

Structural Information

Molecular Formula
C15H17ClN3O3S
SMILES
CC1=CC(=[N+](C(=C1)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C
InChI
InChI=1S/C15H16ClN3O3S/c1-9-6-10(2)19(11(3)7-9)18-15(20)12-4-5-13(16)14(8-12)23(17,21)22/h4-8H,1-3H3,(H2-,17,18,20,21,22)/p+1
InChIKey
PNDYDXDNOWKEBO-UHFFFAOYSA-O
Compound name
4-chloro-3-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

354.0679 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07518 177.3
[M+Na]+ 377.05712 186.6
[M-H]- 353.06062 183.6
[M+NH4]+ 372.10172 189.6
[M+K]+ 393.03106 175.0
[M+H-H2O]+ 337.06516 173.1
[M+HCOO]- 399.06610 189.7
[M+CH3COO]- 413.08175 207.4
[M+Na-2H]- 375.04257 180.9
[M]+ 354.06735 180.3
[M]- 354.06845 180.3
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