CID 1957350

Ethyl 2-cyano-3-[(2,5-dimethoxyphenyl)amino]prop-2-enoate

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCOC(=O)/C(=C/NC1=C(C=CC(=C1)OC)OC)/C#N
InChI
InChI=1S/C14H16N2O4/c1-4-20-14(17)10(8-15)9-16-12-7-11(18-2)5-6-13(12)19-3/h5-7,9,16H,4H2,1-3H3/b10-9+
InChIKey
ANCXEDMYFAOHJU-MDZDMXLPSA-N
Compound name
ethyl (E)-2-cyano-3-(2,5-dimethoxyanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.111 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 163.3
[M+Na]+ 299.100218 171.4
[M-H]- 275.103724 166.3
[M+NH4]+ 294.144823 177.5
[M+K]+ 315.074158 169.5
[M+H-H2O]+ 259.108260 149.8
[M+HCOO]- 321.109201 182.9
[M+CH3COO]- 335.124851 211.9
[M+Na-2H]- 297.085666 165.1
[M]+ 276.11045142 162.2
[M]- 276.11154858 162.2
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.