CID 42608000

Lmpk12140420

Structural Information

Molecular Formula
C20H20O7
SMILES
CC1(C(CC2=C(O1)C(=CC(=C2)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C
InChI
InChI=1S/C20H20O7/c1-20(2)17(25)5-10-3-9(4-14(24)19(10)27-20)15-8-13(23)18-12(22)6-11(21)7-16(18)26-15/h3-4,6-7,15,17,21-22,24-25H,5,8H2,1-2H3
InChIKey
ASQDBJSRWIDYKK-UHFFFAOYSA-N
Compound name
2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 186.0
[M+Na]+ 395.11012 194.7
[M-H]- 371.11362 191.4
[M+NH4]+ 390.15472 197.3
[M+K]+ 411.08406 193.0
[M+H-H2O]+ 355.11816 178.6
[M+HCOO]- 417.11910 195.0
[M+CH3COO]- 431.13475 195.3
[M+Na-2H]- 393.09557 189.1
[M]+ 372.12035 186.5
[M]- 372.12145 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

No patent data available for this compound.