CID 3433255

Dtxsid201284437

Structural Information

Molecular Formula
C23H18O3
SMILES
C1=CC=C(C=C1)C(=O)CC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18O3/c24-21(17-10-4-1-5-11-17)16-20(22(25)18-12-6-2-7-13-18)23(26)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKey
NMLIJDSVLDFESZ-UHFFFAOYSA-N
Compound name
2-benzoyl-1,4-diphenylbutane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12558 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13286 182.1
[M+Na]+ 365.11480 185.2
[M-H]- 341.11830 190.5
[M+NH4]+ 360.15940 193.3
[M+K]+ 381.08874 180.8
[M+H-H2O]+ 325.12284 172.3
[M+HCOO]- 387.12378 201.6
[M+CH3COO]- 401.13943 212.1
[M+Na-2H]- 363.10025 182.9
[M]+ 342.12503 181.0
[M]- 342.12613 181.0
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.