CID 131750725

7-hydroxygliclazide

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CC(CC3C2)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)

InChIKey

JMHDCYDSYHLATB-UHFFFAOYSA-N

Compound name

1-(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: 2
Patents: 339.12527 Da
Monoisotopic Mass: 0.3
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]+	340.132546	176.6
[M+Na]+	362.114488	182.0
[M-H]-	338.117994	181.6
[M+NH4]+	357.159093	192.6
[M+K]+	378.088428	178.7
[M+H-H2O]+	322.122530	171.1
[M+HCOO]-	384.123471	190.7
[M+CH3COO]-	398.139121	207.4
[M+Na-2H]-	360.099936	176.7
[M]+	339.12472142	175.9
[M]-	339.12581858	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe