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

3
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

literature stripe

Patent stripe

patents stripe