CID 176513948

(2r)-5,10-dihydroxy-2-(hydroxymethyl)-9-methoxy-1,1-dimethyl-2h-furo[2,3-c]xanthen-6-one

Structural Information

Molecular Formula
C19H18O7
SMILES
CC1([C@@H](OC2=C1C3=C(C(=C2)O)C(=O)C4=C(O3)C(=C(C=C4)OC)O)CO)C
InChI
InChI=1S/C19H18O7/c1-19(2)12(7-20)25-11-6-9(21)13-15(22)8-4-5-10(24-3)16(23)17(8)26-18(13)14(11)19/h4-6,12,20-21,23H,7H2,1-3H3/t12-/m0/s1
InChIKey
VKADNNGILNQPTO-LBPRGKRZSA-N
Compound name
(2R)-5,10-dihydroxy-2-(hydroxymethyl)-9-methoxy-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-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 178.7
[M+Na]+ 381.09448 191.9
[M-H]- 357.09798 184.8
[M+NH4]+ 376.13908 194.9
[M+K]+ 397.06842 189.9
[M+H-H2O]+ 341.10252 173.4
[M+HCOO]- 403.10346 194.3
[M+CH3COO]- 417.11911 191.0
[M+Na-2H]- 379.07993 184.4
[M]+ 358.10471 188.1
[M]- 358.10581 188.1
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.