CID 5315115

Ugonin c

Structural Information

Molecular Formula
C21H20O6
SMILES
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)(C)C
InChI
InChI=1S/C21H20O6/c1-10-21(2,3)16-14(26-10)9-13(23)15-17(24)20(25-4)18(27-19(15)16)11-5-7-12(22)8-6-11/h5-10,22-23H,1-4H3
InChIKey
QJGHPSMBMKFFEE-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.12598 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 184.2
[M+Na]+ 391.11520 196.4
[M-H]- 367.11870 193.5
[M+NH4]+ 386.15980 199.5
[M+K]+ 407.08914 194.4
[M+H-H2O]+ 351.12324 178.0
[M+HCOO]- 413.12418 201.0
[M+CH3COO]- 427.13983 196.5
[M+Na-2H]- 389.10065 187.5
[M]+ 368.12543 191.9
[M]- 368.12653 191.9
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.