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 203.1
[M+Na]+ 435.21737 203.2
[M-H]- 411.22087 209.3
[M+NH4]+ 430.26197 209.6
[M+K]+ 451.19131 195.8
[M+H-H2O]+ 395.22541 189.8
[M+HCOO]- 457.22635 209.2
[M+CH3COO]- 471.24200 208.2
[M+Na-2H]- 433.20282 200.6
[M]+ 412.22760 196.4
[M]- 412.22870 196.4
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.