CID 5270961

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

Structural Information

Molecular Formula
C22H26O6
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)CC)OCCO
InChI
InChI=1S/C22H26O6/c1-5-7-13-12-16(25)27-21-17(13)20-14(8-9-22(3,4)28-20)19(26-11-10-23)18(21)15(24)6-2/h8-9,12,23H,5-7,10-11H2,1-4H3
InChIKey
UPIVLWPOHXKMRS-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)-2,2-dimethyl-6-propanoyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

386.17294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 191.4
[M+Na]+ 409.16216 200.6
[M-H]- 385.16566 197.1
[M+NH4]+ 404.20676 204.4
[M+K]+ 425.13610 199.5
[M+H-H2O]+ 369.17020 183.8
[M+HCOO]- 431.17114 206.4
[M+CH3COO]- 445.18679 222.9
[M+Na-2H]- 407.14761 195.3
[M]+ 386.17239 200.6
[M]- 386.17349 200.6
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.