CID 5193835

329700-15-4

Structural Information

Molecular Formula
C15H16ClNO3
SMILES
CCOC(=O)C1=C(NC(=O)CC1C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C15H16ClNO3/c1-3-20-15(19)14-9(2)17-13(18)8-12(14)10-4-6-11(16)7-5-10/h4-7,12H,3,8H2,1-2H3,(H,17,18)
InChIKey
DQGFSUNCSJBMIO-UHFFFAOYSA-N
Compound name
ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.08188 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08916 164.3
[M+Na]+ 316.07110 172.7
[M-H]- 292.07460 168.4
[M+NH4]+ 311.11570 179.0
[M+K]+ 332.04504 167.4
[M+H-H2O]+ 276.07914 157.5
[M+HCOO]- 338.08008 178.2
[M+CH3COO]- 352.09573 199.0
[M+Na-2H]- 314.05655 165.1
[M]+ 293.08133 165.6
[M]- 293.08243 165.6
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