CID 95325

2901-29-3

Structural Information

Molecular Formula
C18H18O3
SMILES
CCOC(=O)C(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C18H18O3/c1-2-21-18(20)17(15-11-7-4-8-12-15)16(19)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3
InChIKey
GVNHSMZHSWFYMB-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2,4-diphenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

282.12558 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 166.8
[M+Na]+ 305.11480 171.3
[M-H]- 281.11830 172.7
[M+NH4]+ 300.15940 181.7
[M+K]+ 321.08874 168.5
[M+H-H2O]+ 265.12284 158.6
[M+HCOO]- 327.12378 187.9
[M+CH3COO]- 341.13943 200.3
[M+Na-2H]- 303.10025 169.0
[M]+ 282.12503 168.2
[M]- 282.12613 168.2
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