CID 7961132

Ethyl 2-cyano-3-[(2,4-dimethoxyphenyl)amino]prop-2-enoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 277.11828 163.3
[M+Na]+ 299.10022 171.4
[M-H]- 275.10372 166.3
[M+NH4]+ 294.14482 177.5
[M+K]+ 315.07416 169.5
[M+H-H2O]+ 259.10826 149.8
[M+HCOO]- 321.10920 182.9
[M+CH3COO]- 335.12485 211.9
[M+Na-2H]- 297.08567 165.1
[M]+ 276.11045 162.2
[M]- 276.11155 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.