CID 2710

Chlorcyclizine

Structural Information

Molecular Formula

C₁₈H₂₁ClN₂

SMILES

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

InChI

InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3

InChIKey

WFNAKBGANONZEQ-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 805
References: 6822
Patents: 300.1393 Da
Monoisotopic Mass: 4.5
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]+	301.14658	172.2
[M+Na]+	323.12852	188.4
[M+NH4]+	318.17312	181.7
[M+K]+	339.10246	178.5
[M-H]-	299.13202	178.7
[M+Na-2H]-	321.11397	182.7
[M]+	300.13875	176.9
[M]-	300.13985	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe