CID 45051013

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

Structural Information

Molecular Formula
C19H14ClNOS
SMILES
C1=CC=C(C=C1)C2=CSC(=C2)/C=C/C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H14ClNOS/c20-16-7-4-8-17(12-16)21-19(22)10-9-18-11-15(13-23-18)14-5-2-1-3-6-14/h1-13H,(H,21,22)/b10-9+
InChIKey
BCBPKFKEKOTBGO-MDZDMXLPSA-N
Compound name
(E)-N-(3-chlorophenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.04846 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05574 180.0
[M+Na]+ 362.03768 188.5
[M-H]- 338.04118 190.1
[M+NH4]+ 357.08228 196.3
[M+K]+ 378.01162 180.4
[M+H-H2O]+ 322.04572 172.9
[M+HCOO]- 384.04666 196.0
[M+CH3COO]- 398.06231 191.4
[M+Na-2H]- 360.02313 179.8
[M]+ 339.04791 183.1
[M]- 339.04901 183.1
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.