CID 14868480

[7-acetyloxy-2-(4-acetyloxyphenyl)-5-hydroxy-3,4-dihydro-2h-chromen-3-yl] acetate

Structural Information

Molecular Formula
C21H20O8
SMILES
CC(=O)OC1CC2=C(C=C(C=C2OC1C3=CC=C(C=C3)OC(=O)C)OC(=O)C)O
InChI
InChI=1S/C21H20O8/c1-11(22)26-15-6-4-14(5-7-15)21-20(28-13(3)24)10-17-18(25)8-16(27-12(2)23)9-19(17)29-21/h4-9,20-21,25H,10H2,1-3H3
InChIKey
HZLSVGMBJZWKHY-UHFFFAOYSA-N
Compound name
[7-acetyloxy-2-(4-acetyloxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1158 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.123076 189.0
[M+Na]+ 423.105018 194.9
[M-H]- 399.108524 195.9
[M+NH4]+ 418.149623 198.6
[M+K]+ 439.078958 195.2
[M+H-H2O]+ 383.113060 180.5
[M+HCOO]- 445.114001 204.3
[M+CH3COO]- 459.129651 221.3
[M+Na-2H]- 421.090466 188.8
[M]+ 400.11525142 194.5
[M]- 400.11634858 194.5
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.