CID 454346

145901-78-6

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(N=CC=C2)OC)C
InChI
InChI=1S/C15H19N3O2/c1-4-11-8-13(14(19)18-10(11)2)17-9-12-6-5-7-16-15(12)20-3/h5-8,17H,4,9H2,1-3H3,(H,18,19)
InChIKey
QHNARWCYVZEIPA-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-methoxypyridin-3-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 164.2
[M+Na]+ 296.13696 173.0
[M-H]- 272.14046 167.5
[M+NH4]+ 291.18156 177.3
[M+K]+ 312.11090 167.9
[M+H-H2O]+ 256.14500 155.2
[M+HCOO]- 318.14594 185.6
[M+CH3COO]- 332.16159 200.9
[M+Na-2H]- 294.12241 168.8
[M]+ 273.14719 165.8
[M]- 273.14829 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.