CID 91319

1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-phenethylpiperazine dimaleate

Structural Information

Molecular Formula
C27H31ClN2O
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H31ClN2O/c28-26-13-11-25(12-14-26)27(24-9-5-2-6-10-24)31-22-21-30-19-17-29(18-20-30)16-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2
InChIKey
JUQACYPIVJLDAE-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.2125 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.21978 211.2
[M+Na]+ 457.20172 227.9
[M+NH4]+ 452.24632 219.7
[M+K]+ 473.17566 215.9
[M-H]- 433.20522 219.7
[M+Na-2H]- 455.18717 222.6
[M]+ 434.21195 216.6
[M]- 434.21305 216.6
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.