CID 5277443

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

Structural Information

Molecular Formula
C26H20O6
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC
InChI
InChI=1S/C26H20O6/c1-17(27)30-23-13-8-18(15-25(23)29-2)14-20-16-24(32-26(20)28)19-9-11-22(12-10-19)31-21-6-4-3-5-7-21/h3-16H,1-2H3/b20-14+
InChIKey
RXEHYULWVMUKNY-XSFVSMFZSA-N
Compound name
[2-methoxy-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

428.12598 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13326 202.1
[M+Na]+ 451.11520 209.2
[M-H]- 427.11870 216.1
[M+NH4]+ 446.15980 211.5
[M+K]+ 467.08914 206.2
[M+H-H2O]+ 411.12324 192.1
[M+HCOO]- 473.12418 223.9
[M+CH3COO]- 487.13983 226.0
[M+Na-2H]- 449.10065 200.9
[M]+ 428.12543 207.3
[M]- 428.12653 207.3
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.