CID 91114

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

Structural Information

Molecular Formula
C25H33ClN2O
SMILES
C1CCC(CC1)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H33ClN2O/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/h1,3-4,7-8,11-14,24-25H,2,5-6,9-10,15-20H2
InChIKey
YJFPXDKIFXACBD-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-cyclohexylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22815 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23543 205.1
[M+Na]+ 435.21737 219.5
[M+NH4]+ 430.26197 213.8
[M+K]+ 451.19131 208.7
[M-H]- 411.22087 213.1
[M+Na-2H]- 433.20282 214.5
[M]+ 412.22760 209.8
[M]- 412.22870 209.8
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.