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]+ 349.179826 184.2
[M+Na]+ 371.161768 194.1
[M-H]- 347.165274 193.1
[M+NH4]+ 366.206373 201.3
[M+K]+ 387.135708 189.7
[M+H-H2O]+ 331.169810 177.9
[M+HCOO]- 393.170751 204.4
[M+CH3COO]- 407.186401 218.0
[M+Na-2H]- 369.147216 183.8
[M]+ 348.17200142 190.0
[M]- 348.17309858 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.