CID 6437943

Piperazine, 1-o-fluorophenyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C24H29FN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=CC=CC=C3F
InChI
InChI=1S/C24H29FN2O4/c1-29-22-16-18(17-23(30-2)24(22)31-3)8-9-19(28)10-11-26-12-14-27(15-13-26)21-7-5-4-6-20(21)25/h4-9,16-17H,10-15H2,1-3H3/b9-8+
InChIKey
RWINXZNPGJYRDG-CMDGGOBGSA-N
Compound name
(E)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.21112 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21840 205.9
[M+Na]+ 451.20034 210.6
[M-H]- 427.20384 210.3
[M+NH4]+ 446.24494 212.4
[M+K]+ 467.17428 205.4
[M+H-H2O]+ 411.20838 193.0
[M+HCOO]- 473.20932 219.9
[M+CH3COO]- 487.22497 229.5
[M+Na-2H]- 449.18579 202.8
[M]+ 428.21057 206.7
[M]- 428.21167 206.7
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.