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

15
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 163.5
[M+Na]+ 281.08965 171.0
[M-H]- 257.09315 166.3
[M+NH4]+ 276.13425 178.1
[M+K]+ 297.06359 168.3
[M+H-H2O]+ 241.09769 150.1
[M+HCOO]- 303.09863 182.1
[M+CH3COO]- 317.11428 208.3
[M+Na-2H]- 279.07510 164.4
[M]+ 258.09988 159.4
[M]- 258.10098 159.4
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