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]+ 308.128126 177.1
[M+Na]+ 330.110068 185.1
[M-H]- 306.113574 181.8
[M+NH4]+ 325.154673 189.7
[M+K]+ 346.084008 179.4
[M+H-H2O]+ 290.118110 162.3
[M+HCOO]- 352.119051 195.1
[M+CH3COO]- 366.134701 213.9
[M+Na-2H]- 328.095516 178.5
[M]+ 307.12030142 174.0
[M]- 307.12139858 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.