CID 96359739

Carboxygliclazide

Structural Information

Molecular Formula
C15H19N3O5S
SMILES
C1C[C@@H]2CN(C[C@@H]2C1)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H19N3O5S/c19-14(20)10-4-6-13(7-5-10)24(22,23)17-15(21)16-18-8-11-2-1-3-12(11)9-18/h4-7,11-12H,1-3,8-9H2,(H,19,20)(H2,16,17,21)/t11-,12+
InChIKey
DSNDPTBTZSQWJS-TXEJJXNPSA-N
Compound name
4-[[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]carbamoylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

353.10455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11183 178.3
[M+Na]+ 376.09377 182.4
[M-H]- 352.09727 183.0
[M+NH4]+ 371.13837 193.1
[M+K]+ 392.06771 179.8
[M+H-H2O]+ 336.10181 172.7
[M+HCOO]- 398.10275 191.8
[M+CH3COO]- 412.11840 208.6
[M+Na-2H]- 374.07922 178.5
[M]+ 353.10400 177.3
[M]- 353.10510 177.3
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

No patent data available for this compound.