CID 3074365

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

Structural Information

Molecular Formula
C19H23FN2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C19H23FN2O/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
GCQXUSARUMZBOU-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17944 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18672 176.2
[M+Na]+ 337.16866 179.8
[M-H]- 313.17216 179.0
[M+NH4]+ 332.21326 186.3
[M+K]+ 353.14260 173.8
[M+H-H2O]+ 297.17670 164.5
[M+HCOO]- 359.17764 189.7
[M+CH3COO]- 373.19329 184.0
[M+Na-2H]- 335.15411 177.3
[M]+ 314.17889 169.6
[M]- 314.17999 169.6
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.