CID 5277444

[2-ethoxy-4-[(e)-[2-oxo-5-(4-phenoxyphenyl)-3-furylidene]methyl]phenyl] acetate

Structural Information

Molecular Formula
C27H22O6
SMILES
CCOC1=C(C=CC(=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC(=O)C
InChI
InChI=1S/C27H22O6/c1-3-30-26-16-19(9-14-24(26)31-18(2)28)15-21-17-25(33-27(21)29)20-10-12-23(13-11-20)32-22-7-5-4-6-8-22/h4-17H,3H2,1-2H3/b21-15+
InChIKey
OPKHOBSGAOURTD-RCCKNPSSSA-N
Compound name
[2-ethoxy-4-[(E)-[2-oxo-5-(4-phenoxyphenyl)furan-3-ylidene]methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.14163 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.14891 206.7
[M+Na]+ 465.13085 213.3
[M-H]- 441.13435 220.5
[M+NH4]+ 460.17545 215.5
[M+K]+ 481.10479 210.1
[M+H-H2O]+ 425.13889 196.4
[M+HCOO]- 487.13983 228.1
[M+CH3COO]- 501.15548 228.9
[M+Na-2H]- 463.11630 204.9
[M]+ 442.14108 212.2
[M]- 442.14218 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.