CID 72381

139547-89-0

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCC1=CC(=C(N=C1C)OC)CNC2=CC(=C(NC2=O)C)CC
InChI
InChI=1S/C18H25N3O2/c1-6-13-8-15(18(23-5)21-12(13)4)10-19-16-9-14(7-2)11(3)20-17(16)22/h8-9,19H,6-7,10H2,1-5H3,(H,20,22)
InChIKey
IUKVADMYSQZSIH-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

315.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 178.2
[M+Na]+ 338.18389 187.4
[M-H]- 314.18739 181.7
[M+NH4]+ 333.22849 190.1
[M+K]+ 354.15783 181.9
[M+H-H2O]+ 298.19193 169.0
[M+HCOO]- 360.19287 198.5
[M+CH3COO]- 374.20852 212.4
[M+Na-2H]- 336.16934 179.6
[M]+ 315.19412 181.6
[M]- 315.19522 181.6
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

patents stripe