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]+ 373.20094 188.5
[M+Na]+ 395.18288 197.5
[M-H]- 371.18638 195.3
[M+NH4]+ 390.22748 202.9
[M+K]+ 411.15682 196.4
[M+H-H2O]+ 355.19092 181.0
[M+HCOO]- 417.19186 203.5
[M+CH3COO]- 431.20751 223.3
[M+Na-2H]- 393.16833 191.7
[M]+ 372.19311 196.6
[M]- 372.19421 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.