CID 486904

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

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCC1=C(NC(=O)C(=C1CNCC2=CC=CC(=C2)C)N)C
InChI
InChI=1S/C17H23N3O/c1-4-14-12(3)20-17(21)16(18)15(14)10-19-9-13-7-5-6-11(2)8-13/h5-8,19H,4,9-10,18H2,1-3H3,(H,20,21)
InChIKey
NQALRRAJZAFLOS-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-[[(3-methylphenyl)methylamino]methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 170.0
[M+Na]+ 308.17332 178.1
[M-H]- 284.17682 174.3
[M+NH4]+ 303.21792 183.8
[M+K]+ 324.14726 172.0
[M+H-H2O]+ 268.18136 161.6
[M+HCOO]- 330.18230 192.3
[M+CH3COO]- 344.19795 207.9
[M+Na-2H]- 306.15877 172.1
[M]+ 285.18355 169.1
[M]- 285.18465 169.1
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.