CID 44257403

Sermundone

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC(=C2C(=C1)OC3COC4=CC(=C(C=C4C3C2=O)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-9-4-11(20)18-15(5-9)26-16-8-25-12-7-14(24-3)13(23-2)6-10(12)17(16)19(18)21/h4-7,16-17,20H,8H2,1-3H3
InChIKey
BCRQIJDETOPQBA-UHFFFAOYSA-N
Compound name
11-hydroxy-2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 178.6
[M+Na]+ 381.09448 187.8
[M-H]- 357.09798 185.3
[M+NH4]+ 376.13908 191.4
[M+K]+ 397.06842 187.8
[M+H-H2O]+ 341.10252 170.3
[M+HCOO]- 403.10346 192.2
[M+CH3COO]- 417.11911 217.0
[M+Na-2H]- 379.07993 184.4
[M]+ 358.10471 185.3
[M]- 358.10581 185.3
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.