CID 2849828

Methyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OC
InChI
InChI=1S/C14H14ClNO3/c1-8-13(14(18)19-2)11(7-12(17)16-8)9-3-5-10(15)6-4-9/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKey
XVNWDTDHEJPJAP-UHFFFAOYSA-N
Compound name
methyl 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

18
Patents

279.06622 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 159.7
[M+Na]+ 302.05544 168.6
[M-H]- 278.05894 164.0
[M+NH4]+ 297.10004 174.9
[M+K]+ 318.02938 163.4
[M+H-H2O]+ 262.06348 153.1
[M+HCOO]- 324.06442 173.9
[M+CH3COO]- 338.08007 196.0
[M+Na-2H]- 300.04089 161.1
[M]+ 279.06567 160.6
[M]- 279.06677 160.6
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

patents stripe