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]+ 249.10224 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

No literature data available for this compound.

Patent stripe

patents stripe