CID 25202818

(6as,12as)-9-hydroxy-2,3-dimethoxy-6a,12a-dihydro-6h-chromeno[3,4-b]chromen-12-one

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C(C3=O)C=CC(=C4)O)OC
InChI
InChI=1S/C18H16O6/c1-21-14-6-11-12(7-15(14)22-2)23-8-16-17(11)18(20)10-4-3-9(19)5-13(10)24-16/h3-7,16-17,19H,8H2,1-2H3/t16-,17+/m1/s1
InChIKey
WXQDWUQQAGHKOV-SJORKVTESA-N
Compound name
(6aS,12aS)-9-hydroxy-2,3-dimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 170.7
[M+Na]+ 351.083918 179.9
[M-H]- 327.087424 177.3
[M+NH4]+ 346.128523 184.7
[M+K]+ 367.057858 179.1
[M+H-H2O]+ 311.091960 162.8
[M+HCOO]- 373.092901 184.7
[M+CH3COO]- 387.108551 182.1
[M+Na-2H]- 349.069366 177.5
[M]+ 328.09415142 175.3
[M]- 328.09524858 175.3
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.