CID 42607831

Ovalichromene a

Structural Information

Molecular Formula
C22H20O6
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)CC(O3)C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C22H20O6/c1-22(2)7-6-13-20-14(9-19(24-3)21(13)28-22)15(23)10-17(27-20)12-4-5-16-18(8-12)26-11-25-16/h4-9,17H,10-11H2,1-3H3
InChIKey
DEXCLCXZBFTTDI-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.133256 187.5
[M+Na]+ 403.115198 197.3
[M-H]- 379.118704 199.7
[M+NH4]+ 398.159803 200.7
[M+K]+ 419.089138 198.0
[M+H-H2O]+ 363.123240 180.1
[M+HCOO]- 425.124181 200.3
[M+CH3COO]- 439.139831 198.9
[M+Na-2H]- 401.100646 192.3
[M]+ 380.12543142 193.4
[M]- 380.12652858 193.4
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

No patent data available for this compound.