CID 45050945

853347-54-3

Structural Information

Molecular Formula
C18H17NO4
SMILES
CCOC1=CC=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)OCC
InChI
InChI=1S/C18H17NO4/c1-3-21-16-8-6-5-7-15(16)17-10-9-14(23-17)11-13(12-19)18(20)22-4-2/h5-11H,3-4H2,1-2H3/b13-11+
InChIKey
XPKFXUSIKLORSH-ACCUITESSA-N
Compound name
ethyl (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

311.11575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 175.2
[M+Na]+ 334.10497 184.3
[M-H]- 310.10847 180.9
[M+NH4]+ 329.14957 188.5
[M+K]+ 350.07891 180.6
[M+H-H2O]+ 294.11301 161.0
[M+HCOO]- 356.11395 193.7
[M+CH3COO]- 370.12960 214.1
[M+Na-2H]- 332.09042 175.4
[M]+ 311.11520 174.8
[M]- 311.11630 174.8
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.