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]+ 302.11870 168.3
[M+Na]+ 324.10064 175.8
[M-H]- 300.10414 173.9
[M+NH4]+ 319.14524 183.1
[M+K]+ 340.07458 171.8
[M+H-H2O]+ 284.10868 159.2
[M+HCOO]- 346.10962 191.6
[M+CH3COO]- 360.12527 206.2
[M+Na-2H]- 322.08609 171.1
[M]+ 301.11087 169.9
[M]- 301.11197 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.