CID 5494881

5-hydroxy-2,2-dimethyl-6-propionyl-10-propyl-2h,8h-pyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C20H22O5
SMILES
CCCC1=CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)C(=O)CC
InChI
InChI=1S/C20H22O5/c1-5-7-11-10-14(22)24-19-15(11)18-12(8-9-20(3,4)25-18)17(23)16(19)13(21)6-2/h8-10,23H,5-7H2,1-4H3
InChIKey
NHXBELKNBSZQTQ-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-6-propanoyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

342.14673 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 179.0
[M+Na]+ 365.13595 189.5
[M-H]- 341.13945 185.3
[M+NH4]+ 360.18055 194.1
[M+K]+ 381.10989 187.9
[M+H-H2O]+ 325.14399 172.1
[M+HCOO]- 387.14493 194.7
[M+CH3COO]- 401.16058 214.8
[M+Na-2H]- 363.12140 183.8
[M]+ 342.14618 186.2
[M]- 342.14728 186.2
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

patents stripe