CID 91069

1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-phenylpiperazine maleate

Structural Information

Molecular Formula
C25H27ClN2O
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H27ClN2O/c26-23-13-11-22(12-14-23)25(21-7-3-1-4-8-21)29-20-19-27-15-17-28(18-16-27)24-9-5-2-6-10-24/h1-14,25H,15-20H2
InChIKey
KOHIAOVHSYRSOB-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18118 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18846 199.8
[M+Na]+ 429.17040 202.9
[M-H]- 405.17390 207.1
[M+NH4]+ 424.21500 206.8
[M+K]+ 445.14434 194.9
[M+H-H2O]+ 389.17844 186.5
[M+HCOO]- 451.17938 210.1
[M+CH3COO]- 465.19503 206.4
[M+Na-2H]- 427.15585 200.4
[M]+ 406.18063 197.3
[M]- 406.18173 197.3
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.