CID 486863

3-amino-4-[(3-chlorophenyl)methyl]-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)Cl)N)C
InChI
InChI=1S/C15H17ClN2O/c1-3-12-9(2)18-15(19)14(17)13(12)8-10-5-4-6-11(16)7-10/h4-7H,3,8,17H2,1-2H3,(H,18,19)
InChIKey
IZZFSVWVORJANB-UHFFFAOYSA-N
Compound name
3-amino-4-[(3-chlorophenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.10294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 163.3
[M+Na]+ 299.09216 173.9
[M-H]- 275.09566 167.6
[M+NH4]+ 294.13676 178.7
[M+K]+ 315.06610 166.5
[M+H-H2O]+ 259.10020 156.4
[M+HCOO]- 321.10114 180.6
[M+CH3COO]- 335.11679 200.3
[M+Na-2H]- 297.07761 165.5
[M]+ 276.10239 164.5
[M]- 276.10349 164.5
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

No patent data available for this compound.