CID 1551508

4-phenyl-a-cyanocinnamic acid amide

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C(/C#N)\C(=O)N
InChI
InChI=1S/C16H12N2O/c17-11-15(16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,(H2,18,19)/b15-10-
InChIKey
FOQBACWKDMSJBT-GDNBJRDFSA-N
Compound name
(Z)-2-cyano-3-(4-phenylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.09496 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 166.0
[M+Na]+ 271.08418 174.3
[M-H]- 247.08768 170.5
[M+NH4]+ 266.12878 180.2
[M+K]+ 287.05812 167.9
[M+H-H2O]+ 231.09222 151.8
[M+HCOO]- 293.09316 184.7
[M+CH3COO]- 307.10881 206.7
[M+Na-2H]- 269.06963 167.9
[M]+ 248.09441 157.9
[M]- 248.09551 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe