CID 4034

Meclizine

Structural Information

Molecular Formula
C25H27ClN2
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

compound 2d structure
9
Annotation Hits

391
References

31202
Patents

390.18628 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19356 197.4
[M+Na]+ 413.17550 201.7
[M-H]- 389.17900 205.1
[M+NH4]+ 408.22010 205.5
[M+K]+ 429.14944 193.0
[M+H-H2O]+ 373.18354 184.6
[M+HCOO]- 435.18448 207.5
[M+CH3COO]- 449.20013 204.6
[M+Na-2H]- 411.16095 197.2
[M]+ 390.18573 194.1
[M]- 390.18683 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.