CID 6446735

Brn 0842787

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]+ 341.16598 182.2
[M+Na]+ 363.14792 187.3
[M-H]- 339.15142 186.7
[M+NH4]+ 358.19252 192.0
[M+K]+ 379.12186 181.4
[M+H-H2O]+ 323.15596 170.1
[M+HCOO]- 385.15690 197.4
[M+CH3COO]- 399.17255 211.0
[M+Na-2H]- 361.13337 182.4
[M]+ 340.15815 178.1
[M]- 340.15925 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.