CID 138394814

2-(2,2-diphenylacetyl)-3-hydroxy-2,3-dihydroinden-1-one

Structural Information

Molecular Formula
C23H18O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C23H18O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-21,24H
InChIKey
AWXBTPVBHYGXKK-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylacetyl)-3-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12558 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13286 181.3
[M+Na]+ 365.11480 187.3
[M-H]- 341.11830 190.6
[M+NH4]+ 360.15940 195.8
[M+K]+ 381.08874 181.5
[M+H-H2O]+ 325.12284 173.0
[M+HCOO]- 387.12378 200.3
[M+CH3COO]- 401.13943 191.6
[M+Na-2H]- 363.10025 181.2
[M]+ 342.12503 179.8
[M]- 342.12613 179.8
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.