CID 43929

Ethyl alpha-cyano-4-(diethylamino)cinnamate

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC
InChI
InChI=1S/C16H20N2O2/c1-4-18(5-2)15-9-7-13(8-10-15)11-14(12-17)16(19)20-6-3/h7-11H,4-6H2,1-3H3
InChIKey
JFMVGZQLOXGKFR-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

272.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 167.8
[M+Na]+ 295.141688 174.7
[M-H]- 271.145194 171.4
[M+NH4]+ 290.186293 182.5
[M+K]+ 311.115628 172.1
[M+H-H2O]+ 255.149730 153.9
[M+HCOO]- 317.150671 186.7
[M+CH3COO]- 331.166321 215.5
[M+Na-2H]- 293.127136 168.3
[M]+ 272.15192142 165.5
[M]- 272.15301858 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe