CID 5383866

Alpha-cyano-3,4,5-trimethoxycinnamide

Structural Information

Molecular Formula
C13H14N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C(=O)N
InChI
InChI=1S/C13H14N2O4/c1-17-10-5-8(4-9(7-14)13(15)16)6-11(18-2)12(10)19-3/h4-6H,1-3H3,(H2,15,16)/b9-4-
InChIKey
SULXVPFOQLMBGA-WTKPLQERSA-N
Compound name
(Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.09537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 159.4
[M+Na]+ 285.08459 168.5
[M-H]- 261.08809 162.4
[M+NH4]+ 280.12919 174.1
[M+K]+ 301.05853 166.8
[M+H-H2O]+ 245.09263 146.4
[M+HCOO]- 307.09357 178.7
[M+CH3COO]- 321.10922 210.4
[M+Na-2H]- 283.07004 160.0
[M]+ 262.09482 157.5
[M]- 262.09592 157.5
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

patents stripe