CID 129318730

2725579-21-3

Structural Information

Molecular Formula
C19H20O3
SMILES
CC(C)OC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H20O3/c1-14(2)22-19(21)13-12-18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKey
WQSTXFXLTCITDK-UHFFFAOYSA-N
Compound name
propan-2-yl 4-oxo-4-(4-phenylphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 170.4
[M+Na]+ 319.13046 183.4
[M+NH4]+ 314.17506 177.6
[M+K]+ 335.10440 176.5
[M-H]- 295.13396 173.8
[M+Na-2H]- 317.11591 178.0
[M]+ 296.14069 173.2
[M]- 296.14179 173.2
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.