CID 176514016

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

Structural Information

Molecular Formula
C18H16O7
SMILES
CC1([C@@H](OC2=C1C3=C(C(=C2)O)C(=O)C4=C(O3)C(=C(C=C4)O)O)CO)C
InChI
InChI=1S/C18H16O7/c1-18(2)11(6-19)24-10-5-9(21)12-14(22)7-3-4-8(20)15(23)16(7)25-17(12)13(10)18/h3-5,11,19-21,23H,6H2,1-2H3/t11-/m0/s1
InChIKey
ZLJOXSWPGIBVLX-NSHDSACASA-N
Compound name
(2R)-5,9,10-trihydroxy-2-(hydroxymethyl)-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

344.0896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 174.6
[M+Na]+ 367.07882 187.8
[M-H]- 343.08232 179.6
[M+NH4]+ 362.12342 190.7
[M+K]+ 383.05276 185.3
[M+H-H2O]+ 327.08686 169.8
[M+HCOO]- 389.08780 189.1
[M+CH3COO]- 403.10345 186.8
[M+Na-2H]- 365.06427 180.5
[M]+ 344.08905 182.1
[M]- 344.09015 182.1
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.