CID 468357

Chembl267951

Structural Information

Molecular Formula
C22H22O5
SMILES
CCCC1=CC(=O)OC2=C3C(=C4C=CC(OC4=C12)(C)C)OC(=C(C3=O)C)C
InChI
InChI=1S/C22H22O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-10H,6-7H2,1-5H3
InChIKey
CAVVVZRWYKLVGP-UHFFFAOYSA-N
Compound name
10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,16-hexaene-4,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

366.14673 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 186.5
[M+Na]+ 389.13595 200.9
[M-H]- 365.13945 196.8
[M+NH4]+ 384.18055 201.4
[M+K]+ 405.10989 199.9
[M+H-H2O]+ 349.14399 177.9
[M+HCOO]- 411.14493 203.7
[M+CH3COO]- 425.16058 199.6
[M+Na-2H]- 387.12140 194.0
[M]+ 366.14618 197.9
[M]- 366.14728 197.9
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.