CID 45051009

N-(4-fluorophenyl)-3-(4-phenyl-2-thienyl)-2-propenamide

Structural Information

Molecular Formula
C19H14FNOS
SMILES
C1=CC=C(C=C1)C2=CSC(=C2)/C=C/C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C19H14FNOS/c20-16-6-8-17(9-7-16)21-19(22)11-10-18-12-15(13-23-18)14-4-2-1-3-5-14/h1-13H,(H,21,22)/b11-10+
InChIKey
IYUPCNVKOSFOND-ZHACJKMWSA-N
Compound name
(E)-N-(4-fluorophenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.078 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08528 174.5
[M+Na]+ 346.06722 182.4
[M-H]- 322.07072 183.4
[M+NH4]+ 341.11182 190.6
[M+K]+ 362.04116 175.3
[M+H-H2O]+ 306.07526 165.8
[M+HCOO]- 368.07620 194.1
[M+CH3COO]- 382.09185 185.8
[M+Na-2H]- 344.05267 174.3
[M]+ 323.07745 174.4
[M]- 323.07855 174.4
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.