CID 245851

Ethyl 4-acetamido-alpha-cyanocinnamate

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C#N
InChI
InChI=1S/C14H14N2O3/c1-3-19-14(18)12(9-15)8-11-4-6-13(7-5-11)16-10(2)17/h4-8H,3H2,1-2H3,(H,16,17)
InChIKey
CPLWLQOLZIZSLD-UHFFFAOYSA-N
Compound name
ethyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

258.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 161.3
[M+Na]+ 281.08965 170.4
[M+NH4]+ 276.13425 163.6
[M+K]+ 297.06359 162.5
[M-H]- 257.09315 154.4
[M+Na-2H]- 279.07510 162.6
[M]+ 258.09988 159.5
[M]- 258.10098 159.5
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

patents stripe