CID 146000663

Capillasterin a

Structural Information

Molecular Formula
C18H16O6
SMILES
CCCC1=CC(=O)C2=C(O1)C=C(C3=C2OC(=O)C=C3OC)C(=O)C
InChI
InChI=1S/C18H16O6/c1-4-5-10-6-12(20)17-14(23-10)7-11(9(2)19)16-13(22-3)8-15(21)24-18(16)17/h6-8H,4-5H2,1-3H3
InChIKey
UZDYUTNMVCVGOB-UHFFFAOYSA-N
Compound name
5-acetyl-4-methoxy-8-propylpyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 170.9
[M+Na]+ 351.083918 183.6
[M-H]- 327.087424 179.4
[M+NH4]+ 346.128523 185.1
[M+K]+ 367.057858 182.9
[M+H-H2O]+ 311.091960 163.2
[M+HCOO]- 373.092901 192.0
[M+CH3COO]- 387.108551 212.7
[M+Na-2H]- 349.069366 177.7
[M]+ 328.09415142 182.3
[M]- 328.09524858 182.3
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.