CID 6436121

Midazogrel

Structural Information

Molecular Formula

C₁₈H₂₄N₂O

SMILES

CCCCCC(/C=C/N1C=CN=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O/c1-2-3-5-10-18(11-13-20-14-12-19-16-20)21-15-17-8-6-4-7-9-17/h4,6-9,11-14,16,18H,2-3,5,10,15H2,1H3/b13-11+

InChIKey

YPIURPNVKACZQH-ACCUITESSA-N

Compound name

1-[(E)-3-phenylmethoxyoct-1-enyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 284.18887 Da
Monoisotopic Mass: 4.0
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]+	285.19615	171.2
[M+Na]+	307.17809	176.0
[M-H]-	283.18159	173.9
[M+NH4]+	302.22269	185.5
[M+K]+	323.15203	171.4
[M+H-H2O]+	267.18613	161.4
[M+HCOO]-	329.18707	191.8
[M+CH3COO]-	343.20272	200.6
[M+Na-2H]-	305.16354	173.2
[M]+	284.18832	173.4
[M]-	284.18942	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe