CID 205174

Brn 1993262

Structural Information

Molecular Formula
C20H20O2
SMILES
CC1=C(C(=C(C(=C1C)C)C2C(=O)C3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C20H20O2/c1-10-11(2)13(4)17(14(5)12(10)3)18-19(21)15-8-6-7-9-16(15)20(18)22/h6-9,18H,1-5H3
InChIKey
IWSKRZXBKWPCOY-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentamethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14633 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15361 166.5
[M+Na]+ 315.13555 178.6
[M-H]- 291.13905 175.9
[M+NH4]+ 310.18015 186.4
[M+K]+ 331.10949 173.1
[M+H-H2O]+ 275.14359 160.6
[M+HCOO]- 337.14453 188.7
[M+CH3COO]- 351.16018 209.9
[M+Na-2H]- 313.12100 165.5
[M]+ 292.14578 170.4
[M]- 292.14688 170.4
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.