CID 1656829

N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-propenamide

Structural Information

Molecular Formula
C17H16FNO3
SMILES
COC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)F)OC
InChI
InChI=1S/C17H16FNO3/c1-21-14-8-9-15(16(11-14)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-11H,1-2H3,(H,19,20)/b10-5+
InChIKey
JTCICFXIBMZVDF-BJMVGYQFSA-N
Compound name
(E)-N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11142 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.118696 168.3
[M+Na]+ 324.100638 175.8
[M-H]- 300.104144 173.9
[M+NH4]+ 319.145243 183.1
[M+K]+ 340.074578 171.8
[M+H-H2O]+ 284.108680 159.2
[M+HCOO]- 346.109621 191.6
[M+CH3COO]- 360.125271 206.2
[M+Na-2H]- 322.086086 171.1
[M]+ 301.11087142 169.9
[M]- 301.11196858 169.9
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.