CID 2767003

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

Structural Information

Molecular Formula
C25H27BrN2O
SMILES
C1CN(CCN1CC(C2=CC=C(C=C2)Br)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27BrN2O/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
PCJGPMGDUSSPRY-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

450.13068 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.13796 203.9
[M+Na]+ 473.11990 207.8
[M-H]- 449.12340 212.5
[M+NH4]+ 468.16450 211.8
[M+K]+ 489.09384 194.6
[M+H-H2O]+ 433.12794 199.2
[M+HCOO]- 495.12888 214.5
[M+CH3COO]- 509.14453 211.4
[M+Na-2H]- 471.10535 204.5
[M]+ 450.13013 215.8
[M]- 450.13123 215.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe