CID 6447492

1-(3-fluorophenyl)-3-((2-(4-methoxyphenyl)ethyl)amino)-2-buten-1-one

Structural Information

Molecular Formula
C19H20FNO2
SMILES
C/C(=C/C(=O)C1=CC(=CC=C1)F)/NCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C19H20FNO2/c1-14(12-19(22)16-4-3-5-17(20)13-16)21-11-10-15-6-8-18(23-2)9-7-15/h3-9,12-13,21H,10-11H2,1-2H3/b14-12-
InChIKey
PPBBMWZGUBKCIZ-OWBHPGMISA-N
Compound name
(Z)-1-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1478 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15508 174.6
[M+Na]+ 336.13702 180.0
[M-H]- 312.14052 179.4
[M+NH4]+ 331.18162 188.5
[M+K]+ 352.11096 175.4
[M+H-H2O]+ 296.14506 165.2
[M+HCOO]- 358.14600 196.0
[M+CH3COO]- 372.16165 210.3
[M+Na-2H]- 334.12247 175.8
[M]+ 313.14725 174.5
[M]- 313.14835 174.5
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.