CID 315227

Munduserone

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=CC2=C(C=C1)C(=O)C3C(O2)COC4=CC(=C(C=C34)OC)OC
InChI
InChI=1S/C19H18O6/c1-21-10-4-5-11-14(6-10)25-17-9-24-13-8-16(23-3)15(22-2)7-12(13)18(17)19(11)20/h4-8,17-18H,9H2,1-3H3
InChIKey
PYRZRPSTTNKOCS-UHFFFAOYSA-N
Compound name
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

2
References

5
Patents

342.11035 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 175.3
[M+Na]+ 365.09957 184.4
[M-H]- 341.10307 183.0
[M+NH4]+ 360.14417 189.4
[M+K]+ 381.07351 184.2
[M+H-H2O]+ 325.10761 166.8
[M+HCOO]- 387.10855 190.5
[M+CH3COO]- 401.12420 215.4
[M+Na-2H]- 363.08502 181.9
[M]+ 342.10980 181.8
[M]- 342.11090 181.8
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

patents stripe