CID 5270955

5-hydroxy-2,2-dimethyl-6-propionyl-10-propyl-3,4-dihydro-2h-pyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C20H24O5
SMILES
CCCC1=CC(=O)OC2=C(C(=C3CCC(OC3=C12)(C)C)O)C(=O)CC
InChI
InChI=1S/C20H24O5/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/h10,23H,5-9H2,1-4H3
InChIKey
XWHVYMYDGRVJNA-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

344.16238 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 179.8
[M+Na]+ 367.15160 189.3
[M-H]- 343.15510 185.7
[M+NH4]+ 362.19620 194.7
[M+K]+ 383.12554 187.8
[M+H-H2O]+ 327.15964 173.1
[M+HCOO]- 389.16058 194.0
[M+CH3COO]- 403.17623 215.2
[M+Na-2H]- 365.13705 183.7
[M]+ 344.16183 185.6
[M]- 344.16293 185.6
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