CID 91083

1-(3-(p-chlorophenyl)-3-phenylpropyl)-4-(m-methylbenzyl)piperazine dimaleate

Structural Information

Molecular Formula
C27H31ClN2
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H31ClN2/c1-22-6-5-7-23(20-22)21-30-18-16-29(17-19-30)15-14-27(24-8-3-2-4-9-24)25-10-12-26(28)13-11-25/h2-13,20,27H,14-19,21H2,1H3
InChIKey
LNZJQGHPCNBBIQ-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-phenylpropyl]-4-[(3-methylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2176 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.22488 206.1
[M+Na]+ 441.20682 209.4
[M-H]- 417.21032 213.4
[M+NH4]+ 436.25142 213.0
[M+K]+ 457.18076 200.3
[M+H-H2O]+ 401.21486 192.8
[M+HCOO]- 463.21580 215.5
[M+CH3COO]- 477.23145 212.4
[M+Na-2H]- 439.19227 204.8
[M]+ 418.21705 203.4
[M]- 418.21815 203.4
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.