CID 480776

5-(6-hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol

Structural Information

Molecular Formula
C19H20O5
SMILES
CC1(C(CC2=C(O1)C=C3C(C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C
InChI
InChI=1S/C19H20O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h4-6,8-10,18,20-22H,3,7H2,1-2H3
InChIKey
OXSJQIXSXQJWOZ-UHFFFAOYSA-N
Compound name
5-(6-hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.13107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 175.1
[M+Na]+ 351.12029 184.2
[M-H]- 327.12379 181.8
[M+NH4]+ 346.16489 190.8
[M+K]+ 367.09423 181.4
[M+H-H2O]+ 311.12833 169.4
[M+HCOO]- 373.12927 188.1
[M+CH3COO]- 387.14492 186.1
[M+Na-2H]- 349.10574 178.3
[M]+ 328.13052 176.0
[M]- 328.13162 176.0
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.