CID 2766994

2-(4-benzhydrylpiperazine-1-yl)-1-(4-chlorophenyl)ethanol dihydrochloride

Structural Information

Molecular Formula
C25H27ClN2O
SMILES
C1CN(CCN1CC(C2=CC=C(C=C2)Cl)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27ClN2O/c26-23-13-11-20(12-14-23)24(29)19-27-15-17-28(18-16-27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24-25,29H,15-19H2
InChIKey
KOVGKDUYQCEDNO-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18118 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18846 198.3
[M+Na]+ 429.17040 200.8
[M-H]- 405.17390 204.6
[M+NH4]+ 424.21500 204.6
[M+K]+ 445.14434 192.5
[M+H-H2O]+ 389.17844 186.0
[M+HCOO]- 451.17938 206.3
[M+CH3COO]- 465.19503 204.4
[M+Na-2H]- 427.15585 197.8
[M]+ 406.18063 193.8
[M]- 406.18173 193.8
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.