CID 134816545

(5z)-4-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-5-[(4-hydroxyphenyl)methylene]furan-2-one

Structural Information

Molecular Formula
C18H14O6
SMILES
COC1=C(C=CC(=C1)C2=C(/C(=C/C3=CC=C(C=C3)O)/OC2=O)O)O
InChI
InChI=1S/C18H14O6/c1-23-14-9-11(4-7-13(14)20)16-17(21)15(24-18(16)22)8-10-2-5-12(19)6-3-10/h2-9,19-21H,1H3/b15-8-
InChIKey
LLTSSQOUQYSKCR-NVNXTCNLSA-N
Compound name
(5Z)-4-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.07904 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 171.8
[M+Na]+ 349.06826 181.0
[M-H]- 325.07176 179.9
[M+NH4]+ 344.11286 184.6
[M+K]+ 365.04220 177.3
[M+H-H2O]+ 309.07630 165.0
[M+HCOO]- 371.07724 191.6
[M+CH3COO]- 385.09289 201.3
[M+Na-2H]- 347.05371 172.2
[M]+ 326.07849 173.8
[M]- 326.07959 173.8
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.