CID 5277438

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

Structural Information

Molecular Formula
C25H18O5
SMILES
CC(=O)OC1=CC=CC(=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C25H18O5/c1-17(26)28-23-9-5-6-18(15-23)14-20-16-24(30-25(20)27)19-10-12-22(13-11-19)29-21-7-3-2-4-8-21/h2-16H,1H3/b20-14+
InChIKey
VNLRQJSCVDFBAU-XSFVSMFZSA-N
Compound name
[3-[(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

398.11542 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12270 195.0
[M+Na]+ 421.10464 202.0
[M-H]- 397.10814 208.8
[M+NH4]+ 416.14924 205.5
[M+K]+ 437.07858 198.3
[M+H-H2O]+ 381.11268 185.3
[M+HCOO]- 443.11362 217.0
[M+CH3COO]- 457.12927 219.7
[M+Na-2H]- 419.09009 194.8
[M]+ 398.11487 198.1
[M]- 398.11597 198.1
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.