CID 5846238

Nsc643023

Structural Information

Molecular Formula
C17H15NO2
SMILES
COC1=CC(=C(C=C1)OC)/C=C(\C#N)/C2=CC=CC=C2
InChI
InChI=1S/C17H15NO2/c1-19-16-8-9-17(20-2)14(11-16)10-15(12-18)13-6-4-3-5-7-13/h3-11H,1-2H3/b15-10+
InChIKey
WLAGJFNKKJZPFZ-XNTDXEJSSA-N
Compound name
(Z)-3-(2,5-dimethoxyphenyl)-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 162.9
[M+Na]+ 288.09952 176.6
[M+NH4]+ 283.14412 167.6
[M+K]+ 304.07346 165.6
[M-H]- 264.10302 159.6
[M+Na-2H]- 286.08497 168.7
[M]+ 265.10975 163.2
[M]- 265.11085 163.2
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

No patent data available for this compound.