CID 91085

1-(p-tert-butylbenzyl)-4-(3-(p-chlorophenyl)-3-phenylpropyl)piperazine dimaleate

Structural Information

Molecular Formula
C30H37ClN2
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C30H37ClN2/c1-30(2,3)27-13-9-24(10-14-27)23-33-21-19-32(20-22-33)18-17-29(25-7-5-4-6-8-25)26-11-15-28(31)16-12-26/h4-16,29H,17-23H2,1-3H3
InChIKey
MDRQBHYCLWTDRG-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.26453 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.27181 221.8
[M+Na]+ 483.25375 238.4
[M+NH4]+ 478.29835 230.2
[M+K]+ 499.22769 226.6
[M-H]- 459.25725 230.2
[M+Na-2H]- 481.23920 232.6
[M]+ 460.26398 227.3
[M]- 460.26508 227.3
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.