CID 353786

Nsc602915

Structural Information

Molecular Formula
C21H26O4
SMILES
CC(C)(C)C1=CC(=CC2=C1OC3(C2=CC(=O)C=C3C(C)(C)C)O)OC
InChI
InChI=1S/C21H26O4/c1-19(2,3)16-11-13(24-7)10-14-15-8-12(22)9-17(20(4,5)6)21(15,23)25-18(14)16/h8-11,23H,1-7H3
InChIKey
IANUYOCSTYLIIJ-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-4a-hydroxy-8-methoxydibenzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19038 182.3
[M+Na]+ 365.17232 192.2
[M-H]- 341.17582 187.9
[M+NH4]+ 360.21692 200.9
[M+K]+ 381.14626 189.8
[M+H-H2O]+ 325.18036 178.4
[M+HCOO]- 387.18130 196.9
[M+CH3COO]- 401.19695 212.9
[M+Na-2H]- 363.15777 187.8
[M]+ 342.18255 188.4
[M]- 342.18365 188.4
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.