CID 176514108

(2s)-5,8,9,10-tetrahydroxy-1,1,2-trimethyl-2h-furo[2,3-c]xanthen-6-one

Structural Information

Molecular Formula
C18H16O7
SMILES
C[C@H]1C(C2=C(O1)C=C(C3=C2OC4=C(C(=C(C=C4C3=O)O)O)O)O)(C)C
InChI
InChI=1S/C18H16O7/c1-6-18(2,3)12-10(24-6)5-8(19)11-13(21)7-4-9(20)14(22)15(23)16(7)25-17(11)12/h4-6,19-20,22-23H,1-3H3/t6-/m0/s1
InChIKey
KWTJLRJNEALXGL-LURJTMIESA-N
Compound name
(2S)-5,8,9,10-tetrahydroxy-1,1,2-trimethyl-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 174.9
[M+Na]+ 367.07882 188.9
[M-H]- 343.08232 180.2
[M+NH4]+ 362.12342 191.3
[M+K]+ 383.05276 186.6
[M+H-H2O]+ 327.08686 170.4
[M+HCOO]- 389.08780 189.3
[M+CH3COO]- 403.10345 187.3
[M+Na-2H]- 365.06427 180.2
[M]+ 344.08905 182.9
[M]- 344.09015 182.9
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.