CID 3488

Glyburide

Structural Information

Molecular Formula
C23H28ClN3O5S
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
InChI
InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
InChIKey
ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

9251
References

79552
Patents

493.14383 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.15111 211.9
[M+Na]+ 516.13305 213.5
[M-H]- 492.13655 219.8
[M+NH4]+ 511.17765 218.5
[M+K]+ 532.10699 208.3
[M+H-H2O]+ 476.14109 203.1
[M+HCOO]- 538.14203 221.9
[M+CH3COO]- 552.15768 239.8
[M+Na-2H]- 514.11850 212.3
[M]+ 493.14328 213.4
[M]- 493.14438 213.4
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

No patent data available for this compound.