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 177.5
[M+Na]+ 335.10022 185.4
[M-H]- 311.10372 181.9
[M+NH4]+ 330.14482 189.6
[M+K]+ 351.07416 181.5
[M+H-H2O]+ 295.10826 163.1
[M+HCOO]- 357.10920 195.6
[M+CH3COO]- 371.12485 214.0
[M+Na-2H]- 333.08567 177.8
[M]+ 312.11045 174.3
[M]- 312.11155 174.3
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.