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]+ 339.159076 178.5
[M+Na]+ 361.141018 187.4
[M-H]- 337.144524 184.5
[M+NH4]+ 356.185623 196.2
[M+K]+ 377.114958 182.8
[M+H-H2O]+ 321.149060 173.2
[M+HCOO]- 383.150001 195.6
[M+CH3COO]- 397.165651 211.3
[M+Na-2H]- 359.126466 176.7
[M]+ 338.15125142 180.4
[M]- 338.15234858 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.