CID 5939020

3-(2,4-dihydroxybenzylidene)-5-(4-methoxyphenyl)-2(3h)-furanone

Structural Information

Molecular Formula
C18H14O5
SMILES
COC1=CC=C(C=C1)C2=C/C(=C/C3=C(C=C(C=C3)O)O)/C(=O)O2
InChI
InChI=1S/C18H14O5/c1-22-15-6-3-11(4-7-15)17-9-13(18(21)23-17)8-12-2-5-14(19)10-16(12)20/h2-10,19-20H,1H3/b13-8-
InChIKey
ZOHPXEDJWXZOLY-JYRVWZFOSA-N
Compound name
(3Z)-3-[(2,4-dihydroxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.8
[M+Na]+ 333.07336 177.8
[M-H]- 309.07686 177.8
[M+NH4]+ 328.11796 182.8
[M+K]+ 349.04730 174.1
[M+H-H2O]+ 293.08140 161.7
[M+HCOO]- 355.08234 190.0
[M+CH3COO]- 369.09799 199.8
[M+Na-2H]- 331.05881 170.2
[M]+ 310.08359 170.7
[M]- 310.08469 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.