CID 45050951

853347-58-7

Structural Information

Molecular Formula
C17H15NO4
SMILES
CCOC1=CC=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)OC
InChI
InChI=1S/C17H15NO4/c1-3-21-15-7-5-4-6-14(15)16-9-8-13(22-16)10-12(11-18)17(19)20-2/h4-10H,3H2,1-2H3/b12-10+
InChIKey
NTNYFWZACJEMRF-ZRDIBKRKSA-N
Compound name
methyl (E)-2-cyano-3-[5-(2-ethoxyphenyl)furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 171.2
[M+Na]+ 320.08932 180.6
[M-H]- 296.09282 177.0
[M+NH4]+ 315.13392 184.9
[M+K]+ 336.06326 177.1
[M+H-H2O]+ 280.09736 157.1
[M+HCOO]- 342.09830 189.9
[M+CH3COO]- 356.11395 211.5
[M+Na-2H]- 318.07477 171.8
[M]+ 297.09955 170.4
[M]- 297.10065 170.4
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.