CID 476060

Chembl89792

Structural Information

Molecular Formula
C19H20O7
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2[C@H]([C@H](C(O3)(C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C19H20O7/c1-9-8-14(22)25-16-12(9)6-7-13-15(16)17(23-10(2)20)18(24-11(3)21)19(4,5)26-13/h6-8,17-18H,1-5H3/t17-,18-/m1/s1
InChIKey
OKUQKTRNAMTAIG-QZTJIDSGSA-N
Compound name
[(9R,10R)-9-acetyloxy-4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1209 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 177.8
[M+Na]+ 383.11012 187.8
[M-H]- 359.11362 185.3
[M+NH4]+ 378.15472 192.5
[M+K]+ 399.08406 188.9
[M+H-H2O]+ 343.11816 171.0
[M+HCOO]- 405.11910 193.4
[M+CH3COO]- 419.13475 218.2
[M+Na-2H]- 381.09557 182.2
[M]+ 360.12035 186.6
[M]- 360.12145 186.6
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.