CID 5377084

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

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC1=CC=C(C=C1)N/C=C(\C#N)/C(=O)OCC
InChI
InChI=1S/C14H16N2O2/c1-3-11-5-7-13(8-6-11)16-10-12(9-15)14(17)18-4-2/h5-8,10,16H,3-4H2,1-2H3/b12-10+
InChIKey
JEJARQCJKLZBKV-ZRDIBKRKSA-N
Compound name
ethyl (E)-2-cyano-3-(4-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]+ 245.128466 160.0
[M+Na]+ 267.110408 167.6
[M-H]- 243.113914 162.7
[M+NH4]+ 262.155013 175.2
[M+K]+ 283.084348 164.3
[M+H-H2O]+ 227.118450 146.7
[M+HCOO]- 289.119391 179.1
[M+CH3COO]- 303.135041 207.0
[M+Na-2H]- 265.095856 162.1
[M]+ 244.12064142 156.0
[M]- 244.12173858 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.