CID 486926

3-amino-5-chloro-4-[(3,5-dimethylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C14H15ClN2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC=C2Cl)N)C
InChI
InChI=1S/C14H15ClN2O/c1-8-3-9(2)5-10(4-8)6-11-12(15)7-17-14(18)13(11)16/h3-5,7H,6,16H2,1-2H3,(H,17,18)
InChIKey
QMDCLWONGCORNJ-UHFFFAOYSA-N
Compound name
3-amino-5-chloro-4-[(3,5-dimethylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08728 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09456 158.7
[M+Na]+ 285.07650 169.8
[M-H]- 261.08000 163.3
[M+NH4]+ 280.12110 174.7
[M+K]+ 301.05044 162.6
[M+H-H2O]+ 245.08454 152.1
[M+HCOO]- 307.08548 176.4
[M+CH3COO]- 321.10113 197.3
[M+Na-2H]- 283.06195 161.4
[M]+ 262.08673 159.6
[M]- 262.08783 159.6
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

No patent data available for this compound.