CID 9878873

60658-04-0

Structural Information

Molecular Formula
C18H18O3
SMILES
CCOC(=O)C(C)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
InChIKey
CQSMNXCTDMLMLM-UHFFFAOYSA-N
Compound name
ethyl 2-(3-benzoylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

191
Patents

282.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 166.0
[M+Na]+ 305.11480 171.4
[M-H]- 281.11830 172.3
[M+NH4]+ 300.15940 181.2
[M+K]+ 321.08874 168.6
[M+H-H2O]+ 265.12284 158.0
[M+HCOO]- 327.12378 187.0
[M+CH3COO]- 341.13943 201.5
[M+Na-2H]- 303.10025 167.5
[M]+ 282.12503 167.8
[M]- 282.12613 167.8
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