CID 17154970

909512-00-1

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCOC1=CC=CC=C1N/C=C(\C#N)/C(=O)OCC
InChI
InChI=1S/C14H16N2O3/c1-3-18-13-8-6-5-7-12(13)16-10-11(9-15)14(17)19-4-2/h5-8,10,16H,3-4H2,1-2H3/b11-10+
InChIKey
WIRMPZNKYPQRJR-ZHACJKMWSA-N
Compound name
ethyl (E)-2-cyano-3-(2-ethoxyanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 162.0
[M+Na]+ 283.10532 169.4
[M-H]- 259.10882 164.6
[M+NH4]+ 278.14992 176.5
[M+K]+ 299.07926 166.7
[M+H-H2O]+ 243.11336 148.4
[M+HCOO]- 305.11430 181.3
[M+CH3COO]- 319.12995 208.9
[M+Na-2H]- 281.09077 164.2
[M]+ 260.11555 159.2
[M]- 260.11665 159.2
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.