CID 3074368

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

Structural Information

Molecular Formula
C19H23BrN2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C19H23BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
InChIKey
GWEAYNAKNNEYOS-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

374.09937 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10665 183.2
[M+Na]+ 397.08859 189.4
[M-H]- 373.09209 189.7
[M+NH4]+ 392.13319 195.1
[M+K]+ 413.06253 176.5
[M+H-H2O]+ 357.09663 179.9
[M+HCOO]- 419.09757 195.8
[M+CH3COO]- 433.11322 192.9
[M+Na-2H]- 395.07404 185.9
[M]+ 374.09882 196.7
[M]- 374.09992 196.7
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

No patent data available for this compound.