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
7
Annotation Hits

9233
References

73510
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 211.6
[M+Na]+ 516.13305 219.7
[M+NH4]+ 511.17765 216.1
[M+K]+ 532.10699 212.5
[M-H]- 492.13655 215.9
[M+Na-2H]- 514.11850 217.7
[M]+ 493.14328 214.2
[M]- 493.14438 214.2
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