CID 138708

6263-84-9

Structural Information

Molecular Formula
C23H20O2
SMILES
C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKey
SQFIJFCIFAVGEG-UHFFFAOYSA-N
Compound name
1,3,5-triphenylpentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

328.14633 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15361 180.4
[M+Na]+ 351.13555 183.7
[M-H]- 327.13905 188.7
[M+NH4]+ 346.18015 192.5
[M+K]+ 367.10949 178.5
[M+H-H2O]+ 311.14359 170.5
[M+HCOO]- 373.14453 200.5
[M+CH3COO]- 387.16018 209.9
[M+Na-2H]- 349.12100 182.2
[M]+ 328.14578 179.1
[M]- 328.14688 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe