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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.111826	178.3
[M+Na]+	376.093768	182.4
[M-H]-	352.097274	183.0
[M+NH4]+	371.138373	193.1
[M+K]+	392.067708	179.8
[M+H-H2O]+	336.101810	172.7
[M+HCOO]-	398.102751	191.8
[M+CH3COO]-	412.118401	208.6
[M+Na-2H]-	374.079216	178.5
[M]+	353.10400142	177.3
[M]-	353.10509858	177.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.