CID 131750979

(e,e)-n-4-methoxystyrylcinnamide

Structural Information

Molecular Formula
C18H17NO2
SMILES
COC1=CC=C(C=C1)/C=C\NC(=O)/C=C\C2=CC=CC=C2
InChI
InChI=1S/C18H17NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-14H,1H3,(H,19,20)/b12-9-,14-13-
InChIKey
ZNOWFEIVNQBQRT-PVFXFQJZSA-N
Compound name
(Z)-N-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 166.2
[M+Na]+ 302.115138 171.9
[M-H]- 278.118644 172.3
[M+NH4]+ 297.159743 181.5
[M+K]+ 318.089078 166.8
[M+H-H2O]+ 262.123180 157.9
[M+HCOO]- 324.124121 190.3
[M+CH3COO]- 338.139771 200.5
[M+Na-2H]- 300.100586 170.5
[M]+ 279.12537142 166.2
[M]- 279.12646858 166.2
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.