CID 5270958

5-ethoxy-2,2-dimethyl-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C22H28O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(=O)CC)OCC
InChI
InChI=1S/C22H28O5/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/h12H,6-11H2,1-5H3
InChIKey
XBHFYMKHLIZDIS-UHFFFAOYSA-N
Compound name
5-ethoxy-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

0
Patents

372.19366 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.200936 188.5
[M+Na]+ 395.182878 197.5
[M-H]- 371.186384 195.3
[M+NH4]+ 390.227483 202.9
[M+K]+ 411.156818 196.4
[M+H-H2O]+ 355.190920 181.0
[M+HCOO]- 417.191861 203.5
[M+CH3COO]- 431.207511 223.3
[M+Na-2H]- 393.168326 191.7
[M]+ 372.19311142 196.6
[M]- 372.19420858 196.6
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

No patent data available for this compound.