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]+ 280.13320 166.2
[M+Na]+ 302.11514 171.9
[M-H]- 278.11864 172.3
[M+NH4]+ 297.15974 181.5
[M+K]+ 318.08908 166.8
[M+H-H2O]+ 262.12318 157.9
[M+HCOO]- 324.12412 190.3
[M+CH3COO]- 338.13977 200.5
[M+Na-2H]- 300.10059 170.5
[M]+ 279.12537 166.2
[M]- 279.12647 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.