CID 486833

3-amino-5-ethyl-6-methyl-4-(p-tolylmethyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H20N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=C(C=C2)C)N)C
InChI
InChI=1S/C16H20N2O/c1-4-13-11(3)18-16(19)15(17)14(13)9-12-7-5-10(2)6-8-12/h5-8H,4,9,17H2,1-3H3,(H,18,19)
InChIKey
BXKJNWOQAPBWBA-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-[(4-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.1
[M+Na]+ 279.14678 170.6
[M-H]- 255.15028 165.7
[M+NH4]+ 274.19138 176.5
[M+K]+ 295.12072 164.8
[M+H-H2O]+ 239.15482 153.4
[M+HCOO]- 301.15576 182.8
[M+CH3COO]- 315.17141 199.7
[M+Na-2H]- 277.13223 163.3
[M]+ 256.15701 160.6
[M]- 256.15811 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

No patent data available for this compound.