CID 131752226

104363-15-7

Structural Information

Molecular Formula
C20H20O7
SMILES
CC1(C(CC2=C(O1)C=C(C3=C2OCC(C3=O)C4=C(C=C(C=C4)O)O)O)O)C
InChI
InChI=1S/C20H20O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7,12,16,21-24H,6,8H2,1-2H3
InChIKey
YBSZKJGFDYIZGI-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

372.1209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.128176 186.0
[M+Na]+ 395.110118 194.7
[M-H]- 371.113624 191.4
[M+NH4]+ 390.154723 197.3
[M+K]+ 411.084058 193.0
[M+H-H2O]+ 355.118160 178.6
[M+HCOO]- 417.119101 195.0
[M+CH3COO]- 431.134751 195.3
[M+Na-2H]- 393.095566 189.1
[M]+ 372.12035142 186.5
[M]- 372.12144858 186.5
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