CID 5469050

Nsc682091

Structural Information

Molecular Formula
C20H20O5
SMILES
CCOC(=O)COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H20O5/c1-3-24-20(22)14-25-18-9-4-15(5-10-18)6-13-19(21)16-7-11-17(23-2)12-8-16/h4-13H,3,14H2,1-2H3/b13-6+
InChIKey
DAIHLCNRFGTFJP-AWNIVKPZSA-N
Compound name
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.8
[M+Na]+ 363.12029 185.5
[M-H]- 339.12379 186.0
[M+NH4]+ 358.16489 192.8
[M+K]+ 379.09423 182.6
[M+H-H2O]+ 323.12833 171.0
[M+HCOO]- 385.12927 201.7
[M+CH3COO]- 399.14492 210.5
[M+Na-2H]- 361.10574 180.9
[M]+ 340.13052 185.3
[M]- 340.13162 185.3
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.