CID 91075

1-benzyl-4-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)piperazine maleate

Structural Information

Molecular Formula
C28H33ClN2O
SMILES
C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C28H33ClN2O/c29-27-15-13-26(14-16-27)28(25-11-5-2-6-12-25)32-22-8-7-17-30-18-20-31(21-19-30)23-24-9-3-1-4-10-24/h1-6,9-16,28H,7-8,17-23H2
InChIKey
YDAITVLNCJVPJH-UHFFFAOYSA-N
Compound name
1-benzyl-4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.22815 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.23543 215.7
[M+Na]+ 471.21737 232.2
[M+NH4]+ 466.26197 224.0
[M+K]+ 487.19131 219.9
[M-H]- 447.22087 224.1
[M+Na-2H]- 469.20282 226.8
[M]+ 448.22760 221.0
[M]- 448.22870 221.0
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.