CID 13984499

1-(bis(4-fluorophenyl)methyl)-4-(2,4-dimethoxycinnamyl)piperazine fumarate

Structural Information

Molecular Formula
C28H30F2N2O2
SMILES
COC1=CC(=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C28H30F2N2O2/c1-33-26-14-9-21(27(20-26)34-2)4-3-15-31-16-18-32(19-17-31)28(22-5-10-24(29)11-6-22)23-7-12-25(30)13-8-23/h3-14,20,28H,15-19H2,1-2H3/b4-3+
InChIKey
QXDNXWIWCTWTKE-ONEGZZNKSA-N
Compound name
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

464.22754 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23482 218.0
[M+Na]+ 487.21676 222.1
[M-H]- 463.22026 223.6
[M+NH4]+ 482.26136 222.3
[M+K]+ 503.19070 214.1
[M+H-H2O]+ 447.22480 202.3
[M+HCOO]- 509.22574 229.9
[M+CH3COO]- 523.24139 236.2
[M+Na-2H]- 485.20221 213.9
[M]+ 464.22699 213.9
[M]- 464.22809 213.9
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

patents stripe