CID 10641036

5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-2h-furo[2,3-c]xanthen-6-one

Structural Information

Molecular Formula
C19H18O6
SMILES
CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4OC)O)O)(C)C
InChI
InChI=1S/C19H18O6/c1-8-19(2,3)14-12(24-8)7-11(21)13-15(22)9-5-6-10(20)17(23-4)16(9)25-18(13)14/h5-8,20-21H,1-4H3
InChIKey
DWIBEITYHXOXGF-UHFFFAOYSA-N
Compound name
5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

342.11035 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 175.5
[M+Na]+ 365.09957 189.5
[M-H]- 341.10307 183.0
[M+NH4]+ 360.14417 193.2
[M+K]+ 381.07351 187.5
[M+H-H2O]+ 325.10761 170.1
[M+HCOO]- 387.10855 192.6
[M+CH3COO]- 401.12420 188.7
[M+Na-2H]- 363.08502 181.4
[M]+ 342.10980 185.2
[M]- 342.11090 185.2
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