CID 3074370

2-(4-benzhydrylpiperazine-1-yl)-1-(4-fluorophenyl)ethanol fumarate

Structural Information

Molecular Formula
C25H27FN2O
SMILES
C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H27FN2O/c26-24-11-9-20(10-12-24)22-7-4-8-23(19-22)25(21-5-2-1-3-6-21)28-15-13-27(14-16-28)17-18-29/h1-12,19,25,29H,13-18H2
InChIKey
VUHMNUJVCBQSGK-UHFFFAOYSA-N
Compound name
2-[4-[[3-(4-fluorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.21075 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21803 197.3
[M+Na]+ 413.19997 200.3
[M-H]- 389.20347 202.7
[M+NH4]+ 408.24457 203.6
[M+K]+ 429.17391 192.3
[M+H-H2O]+ 373.20801 183.6
[M+HCOO]- 435.20895 209.6
[M+CH3COO]- 449.22460 203.5
[M+Na-2H]- 411.18542 196.7
[M]+ 390.21020 190.2
[M]- 390.21130 190.2
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.