Meclizine (C25H27ClN2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3

InChIKey

OCJYIGYOJCODJL-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine

Related CIDs

2D Structure

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]+	391.193556	197.4
[M+Na]+	413.175498	201.7
[M-H]-	389.179004	205.1
[M+NH4]+	408.220103	205.5
[M+K]+	429.149438	193.0
[M+H-H2O]+	373.183540	184.6
[M+HCOO]-	435.184481	207.5
[M+CH3COO]-	449.200131	204.6
[M+Na-2H]-	411.160946	197.2
[M]+	390.18573142	194.1
[M]-	390.18682858	194.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.193556

197.4

[M+Na]+

413.175498

201.7

[M-H]-

389.179004

205.1

[M+NH4]+

408.220103

205.5

[M+K]+

429.149438

193.0

[M+H-H2O]+

373.183540

184.6

[M+HCOO]-

435.184481

207.5

[M+CH3COO]-

449.200131

204.6

[M+Na-2H]-

411.160946

197.2

[M]+

390.18573142

194.1

[M]-

390.18682858

194.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Meclizine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe