CID 3054439

Brn 2299804

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1=CC(=CC(=C1O)C2(C(=O)C3=CC=CC=C3C2=O)O)C(C)(C)C
InChI
InChI=1S/C20H20O4/c1-11-9-12(19(2,3)4)10-15(16(11)21)20(24)17(22)13-7-5-6-8-14(13)18(20)23/h5-10,21,24H,1-4H3
InChIKey
RSPNDYJXZIFHOE-UHFFFAOYSA-N
Compound name
2-(5-tert-butyl-2-hydroxy-3-methylphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.143446 174.7
[M+Na]+ 347.125388 185.2
[M-H]- 323.128894 181.2
[M+NH4]+ 342.169993 193.4
[M+K]+ 363.099328 180.3
[M+H-H2O]+ 307.133430 170.0
[M+HCOO]- 369.134371 192.7
[M+CH3COO]- 383.150021 206.3
[M+Na-2H]- 345.110836 177.0
[M]+ 324.13562142 177.1
[M]- 324.13671858 177.1
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.