CID 5270956

Schembl6630866

Structural Information

Molecular Formula
C21H24O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)CC)OC
InChI
InChI=1S/C21H24O5/c1-6-8-12-11-15(23)25-20-16(12)19-13(9-10-21(3,4)26-19)18(24-5)17(20)14(22)7-2/h9-11H,6-8H2,1-5H3
InChIKey
FLLSDSZVVPVYOY-UHFFFAOYSA-N
Compound name
5-methoxy-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

5
Patents

356.16238 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 183.0
[M+Na]+ 379.15160 193.4
[M-H]- 355.15510 190.4
[M+NH4]+ 374.19620 198.1
[M+K]+ 395.12554 192.5
[M+H-H2O]+ 339.15964 175.6
[M+HCOO]- 401.16058 199.8
[M+CH3COO]- 415.17623 219.9
[M+Na-2H]- 377.13705 187.6
[M]+ 356.16183 192.2
[M]- 356.16293 192.2
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