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 180.5
[M+Na]+ 381.09448 193.3
[M+NH4]+ 376.13908 185.9
[M+K]+ 397.06842 188.8
[M-H]- 357.09798 183.7
[M+Na-2H]- 379.07993 183.9
[M]+ 358.10471 183.0
[M]- 358.10581 183.0
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.