CID 1051906

518350-13-5

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CNC(=O)/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C#N
InChI
InChI=1S/C17H14N2O2/c1-19-17(20)14(12-18)10-13-6-5-9-16(11-13)21-15-7-3-2-4-8-15/h2-11H,1H3,(H,19,20)/b14-10+
InChIKey
PYDDQJWBQKITBS-GXDHUFHOSA-N
Compound name
(E)-2-cyano-N-methyl-3-(3-phenoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 171.7
[M+Na]+ 301.09475 179.5
[M-H]- 277.09825 176.5
[M+NH4]+ 296.13935 185.0
[M+K]+ 317.06869 173.9
[M+H-H2O]+ 261.10279 157.0
[M+HCOO]- 323.10373 190.9
[M+CH3COO]- 337.11938 211.3
[M+Na-2H]- 299.08020 174.1
[M]+ 278.10498 166.0
[M]- 278.10608 166.0
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.