CID 16678662

Glimepiride urethane

Structural Information

Molecular Formula
C18H23N3O6S
SMILES
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OC)C
InChI
InChI=1S/C18H23N3O6S/c1-4-15-12(2)11-21(16(15)22)17(23)19-10-9-13-5-7-14(8-6-13)28(25,26)20-18(24)27-3/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKey
UZDRZEOOIXNUTE-UHFFFAOYSA-N
Compound name
methyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.13077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13805 194.9
[M+Na]+ 432.11999 200.4
[M-H]- 408.12349 200.5
[M+NH4]+ 427.16459 205.8
[M+K]+ 448.09393 197.4
[M+H-H2O]+ 392.12803 187.1
[M+HCOO]- 454.12897 211.2
[M+CH3COO]- 468.14462 223.9
[M+Na-2H]- 430.10544 193.4
[M]+ 409.13022 200.5
[M]- 409.13132 200.5
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