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

literature stripe

Patent stripe

patents stripe