CID 28043736

Ethyl 2-cyano-3-[(2-ethylphenyl)amino]prop-2-enoate

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC1=CC=CC=C1N/C=C(\C#N)/C(=O)OCC
InChI
InChI=1S/C14H16N2O2/c1-3-11-7-5-6-8-13(11)16-10-12(9-15)14(17)18-4-2/h5-8,10,16H,3-4H2,1-2H3/b12-10+
InChIKey
OHYSSIQGPCWCII-ZRDIBKRKSA-N
Compound name
ethyl (E)-2-cyano-3-(2-ethylanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 160.0
[M+Na]+ 267.11041 167.6
[M-H]- 243.11391 162.7
[M+NH4]+ 262.15501 175.2
[M+K]+ 283.08435 164.3
[M+H-H2O]+ 227.11845 146.7
[M+HCOO]- 289.11939 179.1
[M+CH3COO]- 303.13504 207.0
[M+Na-2H]- 265.09586 162.1
[M]+ 244.12064 156.0
[M]- 244.12174 156.0
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.