CID 157722

Karetazan

Structural Information

Molecular Formula
C15H14ClNO3
SMILES
CCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)Cl)C(=O)O)C
InChI
InChI=1S/C15H14ClNO3/c1-3-17-9(2)8-12(18)13(15(19)20)14(17)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,19,20)
InChIKey
GQFJDWYHPRLNHR-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1466
Patents

291.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07350 163.2
[M+Na]+ 314.05544 179.2
[M+NH4]+ 309.10004 170.4
[M+K]+ 330.02938 172.1
[M-H]- 290.05894 166.1
[M+Na-2H]- 312.04089 170.7
[M]+ 291.06567 166.6
[M]- 291.06677 166.6
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