CID 65960

Idrapril

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₅

SMILES

CN(CC(=O)NO)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O

InChI

InChI=1S/C11H18N2O5/c1-13(6-9(14)12-18)10(15)7-4-2-3-5-8(7)11(16)17/h7-8,18H,2-6H2,1H3,(H,12,14)(H,16,17)/t7-,8+/m1/s1

InChIKey

QKIVRALZQSUWHH-SFYZADRCSA-N

Compound name

cis-(1S,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 1122
Patents: 258.12158 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]+	259.128856	157.1
[M+Na]+	281.110798	158.9
[M-H]-	257.114304	158.2
[M+NH4]+	276.155403	171.8
[M+K]+	297.084738	159.4
[M+H-H2O]+	241.118840	150.5
[M+HCOO]-	303.119781	174.8
[M+CH3COO]-	317.135431	197.7
[M+Na-2H]-	279.096246	156.1
[M]+	258.12103142	152.8
[M]-	258.12212858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe