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
2
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]+ 421.208596 205.1
[M+Na]+ 443.190538 209.1
[M-H]- 419.194044 209.5
[M+NH4]+ 438.235143 210.5
[M+K]+ 459.164478 199.8
[M+H-H2O]+ 403.198580 190.5
[M+HCOO]- 465.199521 216.3
[M+CH3COO]- 479.215171 210.7
[M+Na-2H]- 441.175986 202.6
[M]+ 420.20077142 197.0
[M]- 420.20186858 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.