CID 358230

Nsc618153

Structural Information

Molecular Formula
C20H22O3
SMILES
CC1COC2=C1C(=O)C(=O)C3=C(C4=C(C=C32)C(CCC4)(C)C)C
InChI
InChI=1S/C20H22O3/c1-10-9-23-19-13-8-14-12(6-5-7-20(14,3)4)11(2)16(13)18(22)17(21)15(10)19/h8,10H,5-7,9H2,1-4H3
InChIKey
CVAVSNHQPCEPRS-UHFFFAOYSA-N
Compound name
3,6,10,10-tetramethyl-3,7,8,9-tetrahydro-2H-naphtho[2,3-g][1]benzofuran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1569 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16418 171.3
[M+Na]+ 333.14612 181.7
[M-H]- 309.14962 178.6
[M+NH4]+ 328.19072 192.6
[M+K]+ 349.12006 177.4
[M+H-H2O]+ 293.15416 165.6
[M+HCOO]- 355.15510 186.1
[M+CH3COO]- 369.17075 183.5
[M+Na-2H]- 331.13157 173.2
[M]+ 310.15635 172.7
[M]- 310.15745 172.7
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.