CID 6438877

M-2-bfpm-4-hppp

Structural Information

Molecular Formula
C26H26F2N2O
SMILES
C1CN(CCN1C/C=C/C2=CC=C(C=C2)O)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H26F2N2O/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)30-18-16-29(17-19-30)15-1-2-20-3-13-25(31)14-4-20/h1-14,26,31H,15-19H2/b2-1+
InChIKey
BORXUYRMIOAMIE-OWOJBTEDSA-N
Compound name
4-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.20132 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20860 205.1
[M+Na]+ 443.19054 209.1
[M-H]- 419.19404 209.5
[M+NH4]+ 438.23514 210.5
[M+K]+ 459.16448 199.8
[M+H-H2O]+ 403.19858 190.5
[M+HCOO]- 465.19952 216.3
[M+CH3COO]- 479.21517 210.7
[M+Na-2H]- 441.17599 202.6
[M]+ 420.20077 197.0
[M]- 420.20187 197.0
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.