CID 454367

145901-97-9

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC(=C2OC)C)C
InChI
InChI=1S/C17H22N2O2/c1-5-13-9-15(17(20)19-12(13)3)18-10-14-8-6-7-11(2)16(14)21-4/h6-9,18H,5,10H2,1-4H3,(H,19,20)
InChIKey
DYOSFJYSDOMCNW-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-methoxy-3-methylphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.2
[M+Na]+ 309.15734 177.0
[M-H]- 285.16084 173.0
[M+NH4]+ 304.20194 182.5
[M+K]+ 325.13128 171.9
[M+H-H2O]+ 269.16538 159.9
[M+HCOO]- 331.16632 190.3
[M+CH3COO]- 345.18197 205.4
[M+Na-2H]- 307.14279 170.9
[M]+ 286.16757 170.4
[M]- 286.16867 170.4
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.