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

66
Patents

284.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 171.8
[M+Na]+ 307.17809 183.7
[M+NH4]+ 302.22269 178.8
[M+K]+ 323.15203 177.0
[M-H]- 283.18159 174.1
[M+Na-2H]- 305.16354 178.7
[M]+ 284.18832 174.0
[M]- 284.18942 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe