CID 4986882

Ethyl 3-benzyloxy-alpha-cyanocinnamate

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCOC(=O)C(=CC1=CC(=CC=C1)OCC2=CC=CC=C2)C#N
InChI
InChI=1S/C19H17NO3/c1-2-22-19(21)17(13-20)11-16-9-6-10-18(12-16)23-14-15-7-4-3-5-8-15/h3-12H,2,14H2,1H3
InChIKey
KWSZCNMJXKZKTG-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 177.1
[M+Na]+ 330.11007 185.1
[M-H]- 306.11357 181.8
[M+NH4]+ 325.15467 189.7
[M+K]+ 346.08401 179.4
[M+H-H2O]+ 290.11811 162.3
[M+HCOO]- 352.11905 195.1
[M+CH3COO]- 366.13470 213.9
[M+Na-2H]- 328.09552 178.5
[M]+ 307.12030 174.0
[M]- 307.12140 174.0
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.