CID 454366

145901-96-8

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C=CC=N2)OC)C
InChI
InChI=1S/C15H19N3O2/c1-4-11-8-12(15(19)18-10(11)2)17-9-13-14(20-3)6-5-7-16-13/h5-8,17H,4,9H2,1-3H3,(H,18,19)
InChIKey
KFBVWLLJEARXPV-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(3-methoxy-2-pyridinyl)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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 164.2
[M+Na]+ 296.136958 173.0
[M-H]- 272.140464 167.5
[M+NH4]+ 291.181563 177.3
[M+K]+ 312.110898 167.9
[M+H-H2O]+ 256.145000 155.2
[M+HCOO]- 318.145941 185.6
[M+CH3COO]- 332.161591 200.9
[M+Na-2H]- 294.122406 168.8
[M]+ 273.14719142 165.8
[M]- 273.14828858 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.