CID 6446735

2-propen-1-one, 1-(4-fluorophenyl)-3-(4-(3-methoxyphenyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C20H21FN2O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)/C=C/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O2/c1-25-19-4-2-3-18(15-19)23-13-11-22(12-14-23)10-9-20(24)16-5-7-17(21)8-6-16/h2-10,15H,11-14H2,1H3/b10-9+
InChIKey
LVAYCJOVNOXRRF-MDZDMXLPSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.165976 182.2
[M+Na]+ 363.147918 187.3
[M-H]- 339.151424 186.7
[M+NH4]+ 358.192523 192.0
[M+K]+ 379.121858 181.4
[M+H-H2O]+ 323.155960 170.1
[M+HCOO]- 385.156901 197.4
[M+CH3COO]- 399.172551 211.0
[M+Na-2H]- 361.133366 182.4
[M]+ 340.15815142 178.1
[M]- 340.15924858 178.1
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.