CID 5277446

(3e)-3-(1,3-benzodioxol-5-ylmethylene)-5-(4-phenoxyphenyl)furan-2-one

Structural Information

Molecular Formula
C24H16O5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/3\C=C(OC3=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C24H16O5/c25-24-18(12-16-6-11-21-23(13-16)27-15-26-21)14-22(29-24)17-7-9-20(10-8-17)28-19-4-2-1-3-5-19/h1-14H,15H2/b18-12+
InChIKey
FTTZQZWBMMFVCS-LDADJPATSA-N
Compound name
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(4-phenoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.09976 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10704 188.1
[M+Na]+ 407.08898 196.4
[M-H]- 383.09248 204.3
[M+NH4]+ 402.13358 199.5
[M+K]+ 423.06292 194.7
[M+H-H2O]+ 367.09702 181.3
[M+HCOO]- 429.09796 208.5
[M+CH3COO]- 443.11361 200.0
[M+Na-2H]- 405.07443 189.3
[M]+ 384.09921 191.9
[M]- 384.10031 191.9
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.