CID 218430

Uc 41305

Structural Information

Molecular Formula
C23H24O3
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C2=O)OC(=O)C(C)(C)C)C
InChI
InChI=1S/C23H24O3/c1-13-11-14(2)18(15(3)12-13)19-20(24)16-9-7-8-10-17(16)21(19)26-22(25)23(4,5)6/h7-12H,1-6H3
InChIKey
SJUPIIFHXYAINX-UHFFFAOYSA-N
Compound name
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.17255 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17983 184.2
[M+Na]+ 371.16177 194.1
[M-H]- 347.16527 193.1
[M+NH4]+ 366.20637 201.3
[M+K]+ 387.13571 189.7
[M+H-H2O]+ 331.16981 177.9
[M+HCOO]- 393.17075 204.4
[M+CH3COO]- 407.18640 218.0
[M+Na-2H]- 369.14722 183.8
[M]+ 348.17200 190.0
[M]- 348.17310 190.0
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.