CID 771084

3-(4-fluorophenyl)-n-(2-(4-methoxyphenyl)ethyl)-2-propenamide

Structural Information

Molecular Formula
C18H18FNO2
SMILES
COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C18H18FNO2/c1-22-17-9-4-15(5-10-17)12-13-20-18(21)11-6-14-2-7-16(19)8-3-14/h2-11H,12-13H2,1H3,(H,20,21)/b11-6+
InChIKey
FJQMPIGLWGDJDY-IZZDOVSWSA-N
Compound name
(E)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13945 170.0
[M+Na]+ 322.12139 176.2
[M-H]- 298.12489 175.0
[M+NH4]+ 317.16599 184.7
[M+K]+ 338.09533 171.3
[M+H-H2O]+ 282.12943 160.7
[M+HCOO]- 344.13037 192.8
[M+CH3COO]- 358.14602 205.8
[M+Na-2H]- 320.10684 172.9
[M]+ 299.13162 170.1
[M]- 299.13272 170.1
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.