CID 1551507

(2e)-3-{[1,1'-biphenyl]-4-yl}-2-cyanoprop-2-enamide

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-XNTDXEJSSA-N
Compound name
(E)-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]+ 249.102236 166.0
[M+Na]+ 271.084178 174.3
[M-H]- 247.087684 170.5
[M+NH4]+ 266.128783 180.2
[M+K]+ 287.058118 167.9
[M+H-H2O]+ 231.092220 151.8
[M+HCOO]- 293.093161 184.7
[M+CH3COO]- 307.108811 206.7
[M+Na-2H]- 269.069626 167.9
[M]+ 248.09441142 157.9
[M]- 248.09550858 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

No literature data available for this compound.

Patent stripe

patents stripe