CID 1547484

Cinnarizine

Structural Information

Molecular Formula

C₂₆H₂₈N₂

SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+

InChIKey

DERZBLKQOCDDDZ-JLHYYAGUSA-N

Compound name

1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 987
References: 21716
Patents: 368.22525 Da
Monoisotopic Mass: 5.8
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]+	369.23253	193.6
[M+Na]+	391.21447	195.1
[M-H]-	367.21797	200.7
[M+NH4]+	386.25907	200.9
[M+K]+	407.18841	186.9
[M+H-H2O]+	351.22251	180.2
[M+HCOO]-	413.22345	208.1
[M+CH3COO]-	427.23910	200.1
[M+Na-2H]-	389.19992	194.9
[M]+	368.22470	186.4
[M]-	368.22580	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe