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

390
References

30479
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

literature stripe

Patent stripe

patents stripe