CID 733997

340319-43-9

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)O
InChI
InChI=1S/C17H16N2O4/c1-2-22-16-9-12(5-6-15(16)20)8-13(10-18)17(21)19-11-14-4-3-7-23-14/h3-9,20H,2,11H2,1H3,(H,19,21)/b13-8+
InChIKey
ARCIALMKPIGEIV-MDWZMJQESA-N
Compound name
(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.111 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 175.0
[M+Na]+ 335.10022 184.4
[M+NH4]+ 330.14482 177.0
[M+K]+ 351.07416 177.9
[M-H]- 311.10372 170.3
[M+Na-2H]- 333.08567 176.4
[M]+ 312.11045 173.8
[M]- 312.11155 173.8
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

No patent data available for this compound.