CID 5270957

Schembl7103060

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(=O)CC)OC
InChI
InChI=1S/C21H26O5/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/h11H,6-10H2,1-5H3
InChIKey
LZZFKWAXKIWLMC-UHFFFAOYSA-N
Compound name
5-methoxy-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

3
Patents

358.178 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 183.7
[M+Na]+ 381.16722 193.1
[M-H]- 357.17072 190.7
[M+NH4]+ 376.21182 198.8
[M+K]+ 397.14116 192.3
[M+H-H2O]+ 341.17526 176.5
[M+HCOO]- 403.17620 199.1
[M+CH3COO]- 417.19185 220.3
[M+Na-2H]- 379.15267 187.5
[M]+ 358.17745 191.6
[M]- 358.17855 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.