CID 21627907

5,8-dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate

Structural Information

Molecular Formula
C19H18O7
SMILES
CC(=O)OC1=C(C=C(C2=C1OCC(C2=O)CC3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3
InChIKey
NXGGYXKVAVMQLL-UHFFFAOYSA-N
Compound name
[5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-2,3-dihydrochromen-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 179.7
[M+Na]+ 381.09448 187.4
[M-H]- 357.09798 185.8
[M+NH4]+ 376.13908 190.9
[M+K]+ 397.06842 185.9
[M+H-H2O]+ 341.10252 171.7
[M+HCOO]- 403.10346 195.8
[M+CH3COO]- 417.11911 212.3
[M+Na-2H]- 379.07993 181.3
[M]+ 358.10471 183.8
[M]- 358.10581 183.8
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.