CID 486856

3-amino-4-[(3,5-dimethylphenyl)methyl]-5,6-dimethyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=C2C)C)N)C
InChI
InChI=1S/C16H20N2O/c1-9-5-10(2)7-13(6-9)8-14-11(3)12(4)18-16(19)15(14)17/h5-7H,8,17H2,1-4H3,(H,18,19)
InChIKey
NRNQRGSMZQBCOX-UHFFFAOYSA-N
Compound name
3-amino-4-[(3,5-dimethylphenyl)methyl]-5,6-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.0
[M+Na]+ 279.14678 171.5
[M-H]- 255.15028 166.0
[M+NH4]+ 274.19138 176.7
[M+K]+ 295.12072 165.7
[M+H-H2O]+ 239.15482 153.6
[M+HCOO]- 301.15576 182.7
[M+CH3COO]- 315.17141 200.9
[M+Na-2H]- 277.13223 162.5
[M]+ 256.15701 161.0
[M]- 256.15811 161.0
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.