CID 45050938

853344-66-8

Structural Information

Molecular Formula
C18H17NO4
SMILES
CCOC(=O)/C(=C/C1=CC=C(O1)C2=C(C=CC(=C2)C)OC)/C#N
InChI
InChI=1S/C18H17NO4/c1-4-22-18(20)13(11-19)10-14-6-8-17(23-14)15-9-12(2)5-7-16(15)21-3/h5-10H,4H2,1-3H3/b13-10+
InChIKey
FYVMXUTYVHSTBD-JLHYYAGUSA-N
Compound name
ethyl (E)-2-cyano-3-[5-(2-methoxy-5-methylphenyl)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 170.9
[M+Na]+ 334.10497 182.2
[M+NH4]+ 329.14957 173.6
[M+K]+ 350.07891 175.2
[M-H]- 310.10847 166.5
[M+Na-2H]- 332.09042 173.0
[M]+ 311.11520 170.3
[M]- 311.11630 170.3
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.