CID 321841

Nsc276292

Structural Information

Molecular Formula
C20H20O5
SMILES
COC(=O)C(C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C20H20O5/c1-24-19(22)18(20(23)25-2)16(14-9-5-3-6-10-14)13-17(21)15-11-7-4-8-12-15/h3-12,16,18H,13H2,1-2H3
InChIKey
OEVOEEJXYIQEKP-UHFFFAOYSA-N
Compound name
dimethyl 2-(3-oxo-1,3-diphenylpropyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

340.13107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 180.2
[M+Na]+ 363.12029 183.2
[M-H]- 339.12379 185.8
[M+NH4]+ 358.16489 192.2
[M+K]+ 379.09423 181.9
[M+H-H2O]+ 323.12833 171.6
[M+HCOO]- 385.12927 199.1
[M+CH3COO]- 399.14492 210.7
[M+Na-2H]- 361.10574 179.2
[M]+ 340.13052 183.1
[M]- 340.13162 183.1
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.