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]+ 298.107376 171.2
[M+Na]+ 320.089318 180.6
[M-H]- 296.092824 177.0
[M+NH4]+ 315.133923 184.9
[M+K]+ 336.063258 177.1
[M+H-H2O]+ 280.097360 157.1
[M+HCOO]- 342.098301 189.9
[M+CH3COO]- 356.113951 211.5
[M+Na-2H]- 318.074766 171.8
[M]+ 297.09955142 170.4
[M]- 297.10064858 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.