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]+ 329.10198 170.7
[M+Na]+ 351.08392 179.9
[M-H]- 327.08742 177.3
[M+NH4]+ 346.12852 184.7
[M+K]+ 367.05786 179.1
[M+H-H2O]+ 311.09196 162.8
[M+HCOO]- 373.09290 184.7
[M+CH3COO]- 387.10855 182.1
[M+Na-2H]- 349.06937 177.5
[M]+ 328.09415 175.3
[M]- 328.09525 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.