CID 51136351

3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-methoxy-2h-furan-5-one

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=C(C(OC1=O)CC2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H16O5/c1-22-17-16(12-4-8-14(20)9-5-12)15(23-18(17)21)10-11-2-6-13(19)7-3-11/h2-9,15,19-20H,10H2,1H3
InChIKey
IIPBTYQTRDFMFM-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-methoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.5
[M+Na]+ 335.08898 178.1
[M-H]- 311.09248 178.5
[M+NH4]+ 330.13358 183.4
[M+K]+ 351.06292 175.0
[M+H-H2O]+ 295.09702 162.4
[M+HCOO]- 357.09796 190.5
[M+CH3COO]- 371.11361 201.1
[M+Na-2H]- 333.07443 170.9
[M]+ 312.09921 172.2
[M]- 312.10031 172.2
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.