CID 5270970

5-ethoxy-6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C22H30O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(CC)O)OCC
InChI
InChI=1S/C22H30O5/c1-6-9-13-12-16(24)26-21-17(13)20-14(10-11-22(4,5)27-20)19(25-8-3)18(21)15(23)7-2/h12,15,23H,6-11H2,1-5H3
InChIKey
ZOJLWWYYYOFLFJ-UHFFFAOYSA-N
Compound name
5-ethoxy-6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.20932 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21660 190.9
[M+Na]+ 397.19854 199.1
[M-H]- 373.20204 196.3
[M+NH4]+ 392.24314 204.6
[M+K]+ 413.17248 197.9
[M+H-H2O]+ 357.20658 183.6
[M+HCOO]- 419.20752 204.2
[M+CH3COO]- 433.22317 221.7
[M+Na-2H]- 395.18399 193.6
[M]+ 374.20877 198.0
[M]- 374.20987 198.0
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.