CID 4384195

2-methyl-1,3,5-triphenyl-1,5-pentanedione

Structural Information

Molecular Formula
C24H22O2
SMILES
CC(C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22O2/c1-18(24(26)21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)17-23(25)20-13-7-3-8-14-20/h2-16,18,22H,17H2,1H3
InChIKey
XCVBREXJNRYOBA-UHFFFAOYSA-N
Compound name
2-methyl-1,3,5-triphenylpentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.162 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16928 184.5
[M+Na]+ 365.15122 187.0
[M-H]- 341.15472 192.6
[M+NH4]+ 360.19582 195.9
[M+K]+ 381.12516 182.2
[M+H-H2O]+ 325.15926 174.6
[M+HCOO]- 387.16020 203.3
[M+CH3COO]- 401.17585 213.7
[M+Na-2H]- 363.13667 184.7
[M]+ 342.16145 183.0
[M]- 342.16255 183.0
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.