CID 125116815

7beta-hydroxygliclazide

Structural Information

Molecular Formula
C15H21N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2C[C@H]3CC(C[C@H]3C2)O
InChI
InChI=1S/C15H21N3O4S/c1-10-2-4-14(5-3-10)23(21,22)17-15(20)16-18-8-11-6-13(19)7-12(11)9-18/h2-5,11-13,19H,6-9H2,1H3,(H2,16,17,20)/t11-,12+,13?
InChIKey
JMHDCYDSYHLATB-FUNVUKJBSA-N
Compound name
1-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

339.12527 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13255 176.6
[M+Na]+ 362.11449 182.0
[M-H]- 338.11799 181.6
[M+NH4]+ 357.15909 192.6
[M+K]+ 378.08843 178.7
[M+H-H2O]+ 322.12253 171.1
[M+HCOO]- 384.12347 190.7
[M+CH3COO]- 398.13912 207.4
[M+Na-2H]- 360.09994 176.7
[M]+ 339.12472 175.9
[M]- 339.12582 175.9
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.