CID 354742

Nsc607185

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1=CC(=O)OC2=C3C=CC(OC3=C4C=CC(OC4=C12)(C)C)(C)C
InChI
InChI=1S/C20H20O4/c1-11-10-14(21)22-17-12-6-8-19(2,3)23-16(12)13-7-9-20(4,5)24-18(13)15(11)17/h6-10H,1-5H3
InChIKey
PHOMDVJSRNFSJO-UHFFFAOYSA-N
Compound name
6,10,10,16,16-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,17-hexaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 173.5
[M+Na]+ 347.12539 186.3
[M-H]- 323.12889 183.0
[M+NH4]+ 342.16999 191.6
[M+K]+ 363.09933 185.8
[M+H-H2O]+ 307.13343 165.3
[M+HCOO]- 369.13437 188.5
[M+CH3COO]- 383.15002 186.6
[M+Na-2H]- 345.11084 182.8
[M]+ 324.13562 180.4
[M]- 324.13672 180.4
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.