CID 486918

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

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCC1=C(NC(=O)C(=C1CN(C)CC2=CC=CC=C2)N)C
InChI
InChI=1S/C17H23N3O/c1-4-14-12(2)19-17(21)16(18)15(14)11-20(3)10-13-8-6-5-7-9-13/h5-9H,4,10-11,18H2,1-3H3,(H,19,21)
InChIKey
SKMUSSOEHQJIIS-UHFFFAOYSA-N
Compound name
3-amino-4-[[benzyl(methyl)amino]methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.7
[M+Na]+ 308.17332 177.0
[M-H]- 284.17682 175.0
[M+NH4]+ 303.21792 183.8
[M+K]+ 324.14726 172.3
[M+H-H2O]+ 268.18136 160.9
[M+HCOO]- 330.18230 192.5
[M+CH3COO]- 344.19795 209.9
[M+Na-2H]- 306.15877 171.8
[M]+ 285.18355 169.6
[M]- 285.18465 169.6
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.