CID 1051903

109314-45-6

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C16H12N2O2/c17-11-13(16(18)19)9-12-5-4-8-15(10-12)20-14-6-2-1-3-7-14/h1-10H,(H2,18,19)/b13-9+
InChIKey
SJOFTAHNDSJAQA-UKTHLTGXSA-N
Compound name
(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 168.3
[M+Na]+ 287.07909 176.5
[M-H]- 263.08259 172.8
[M+NH4]+ 282.12369 181.8
[M+K]+ 303.05303 170.8
[M+H-H2O]+ 247.08713 153.9
[M+HCOO]- 309.08807 187.3
[M+CH3COO]- 323.10372 208.6
[M+Na-2H]- 285.06454 170.3
[M]+ 264.08932 161.5
[M]- 264.09042 161.5
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

No patent data available for this compound.