CID 15958510

5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one

Structural Information

Molecular Formula
C19H22O4
SMILES
CC(=CCC1=C2C(=C(C3=C1OCCC3=O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C19H22O4/c1-11(2)5-6-13-17-12(7-9-19(3,4)23-17)16(21)15-14(20)8-10-22-18(13)15/h5,7,9,21H,6,8,10H2,1-4H3
InChIKey
WQABNKRXGFQHTG-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.159076 173.4
[M+Na]+ 337.141018 181.7
[M-H]- 313.144524 178.7
[M+NH4]+ 332.185623 189.3
[M+K]+ 353.114958 179.8
[M+H-H2O]+ 297.149060 166.9
[M+HCOO]- 359.150001 186.4
[M+CH3COO]- 373.165651 208.2
[M+Na-2H]- 335.126466 177.3
[M]+ 314.15125142 175.4
[M]- 314.15234858 175.4
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.