CID 6726

Cyclizine

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3

InChIKey

UVKZSORBKUEBAZ-UHFFFAOYSA-N

Compound name

1-benzhydryl-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 362
References: 19250
Patents: 266.17828 Da
Monoisotopic Mass: 3.6
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]+	267.18556	166.2
[M+Na]+	289.16750	181.2
[M+NH4]+	284.21210	175.5
[M+K]+	305.14144	172.0
[M-H]-	265.17100	172.6
[M+Na-2H]-	287.15295	176.8
[M]+	266.17773	170.3
[M]-	266.17883	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe