CID 5277447

(3e)-3-(9-anthrylmethylene)-5-(4-phenoxyphenyl)furan-2-one

Structural Information

Molecular Formula
C31H20O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=C5C=CC=CC5=CC6=CC=CC=C64)/C(=O)O3
InChI
InChI=1S/C31H20O3/c32-31-24(19-29-27-12-6-4-8-22(27)18-23-9-5-7-13-28(23)29)20-30(34-31)21-14-16-26(17-15-21)33-25-10-2-1-3-11-25/h1-20H/b24-19+
InChIKey
DUGGGPTZEUOULX-LYBHJNIJSA-N
Compound name
(3E)-3-(anthracen-9-ylmethylidene)-5-(4-phenoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.14124 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14852 209.7
[M+Na]+ 463.13046 218.5
[M-H]- 439.13396 224.8
[M+NH4]+ 458.17506 220.1
[M+K]+ 479.10440 211.3
[M+H-H2O]+ 423.13850 198.2
[M+HCOO]- 485.13944 230.0
[M+CH3COO]- 499.15509 219.5
[M+Na-2H]- 461.11591 211.9
[M]+ 440.14069 211.7
[M]- 440.14179 211.7
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.