CID 454378

139548-46-2

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C=C(C(=N2)CC)C)OC)C
InChI
InChI=1S/C18H25N3O2/c1-6-13-9-15(18(22)20-12(13)4)19-10-16-17(23-5)8-11(3)14(7-2)21-16/h8-9,19H,6-7,10H2,1-5H3,(H,20,22)
InChIKey
MYPUEIWWSFJAGD-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(6-ethyl-3-methoxy-5-methyl-2-pyridinyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

315.19467 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.