CID 454363

145901-93-5

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C16H20N2O2/c1-4-13-9-15(16(19)18-11(13)2)17-10-12-5-7-14(20-3)8-6-12/h5-9,17H,4,10H2,1-3H3,(H,18,19)
InChIKey
IIUVSSRPGPVVKL-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(4-methoxyphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 163.6
[M+Na]+ 295.14169 171.9
[M-H]- 271.14519 168.2
[M+NH4]+ 290.18629 178.1
[M+K]+ 311.11563 167.0
[M+H-H2O]+ 255.14973 155.3
[M+HCOO]- 317.15067 186.1
[M+CH3COO]- 331.16632 201.1
[M+Na-2H]- 293.12714 167.6
[M]+ 272.15192 165.0
[M]- 272.15302 165.0
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.