CID 3054442

Brn 2303503

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(C)C1=CC(=C(C(=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O)C(C)C
InChI
InChI=1S/C21H22O4/c1-11(2)13-9-16(12(3)4)18(17(22)10-13)21(25)19(23)14-7-5-6-8-15(14)20(21)24/h5-12,22,25H,1-4H3
InChIKey
BKTFNIMCQOCKPW-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[2-hydroxy-4,6-di(propan-2-yl)phenyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 178.5
[M+Na]+ 361.14102 187.4
[M-H]- 337.14452 184.5
[M+NH4]+ 356.18562 196.2
[M+K]+ 377.11496 182.8
[M+H-H2O]+ 321.14906 173.2
[M+HCOO]- 383.15000 195.6
[M+CH3COO]- 397.16565 211.3
[M+Na-2H]- 359.12647 176.7
[M]+ 338.15125 180.4
[M]- 338.15235 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.