CID 101602347

3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

Structural Information

Molecular Formula
C20H18O7
SMILES
CC1(C(CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)O)C
InChI
InChI=1S/C20H18O7/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/h3-5,7-8,16,21-24H,6H2,1-2H3
InChIKey
GUVOWHHQZUZCIH-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 183.7
[M+Na]+ 393.09448 198.8
[M+NH4]+ 388.13908 191.3
[M+K]+ 409.06842 192.1
[M-H]- 369.09798 189.2
[M+Na-2H]- 391.07993 188.0
[M]+ 370.10471 187.7
[M]- 370.10581 187.7
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

patents stripe