CID 218020

1-(1-(4-methoxyphenyl)-3-phenylpropyl)-4-(phenylmethyl)piperazine dimaleate

Structural Information

Molecular Formula
C27H32N2O
SMILES
COC1=CC=C(C=C1)C(CCC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C27H32N2O/c1-30-26-15-13-25(14-16-26)27(17-12-23-8-4-2-5-9-23)29-20-18-28(19-21-29)22-24-10-6-3-7-11-24/h2-11,13-16,27H,12,17-22H2,1H3
InChIKey
KGKUVLAIYMFEML-UHFFFAOYSA-N
Compound name
1-benzyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.25146 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.25874 202.3
[M+Na]+ 423.24068 203.7
[M-H]- 399.24418 209.5
[M+NH4]+ 418.28528 208.5
[M+K]+ 439.21462 196.6
[M+H-H2O]+ 383.24872 188.5
[M+HCOO]- 445.24966 216.4
[M+CH3COO]- 459.26531 208.4
[M+Na-2H]- 421.22613 202.3
[M]+ 400.25091 197.9
[M]- 400.25201 197.9
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.