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]+ 279.112806 171.7
[M+Na]+ 301.094748 179.5
[M-H]- 277.098254 176.5
[M+NH4]+ 296.139353 185.0
[M+K]+ 317.068688 173.9
[M+H-H2O]+ 261.102790 157.0
[M+HCOO]- 323.103731 190.9
[M+CH3COO]- 337.119381 211.3
[M+Na-2H]- 299.080196 174.1
[M]+ 278.10498142 166.0
[M]- 278.10607858 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.