CID 454369

139548-19-9

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C=CC(=C2)C)OC)C
InChI
InChI=1S/C17H22N2O2/c1-5-13-9-15(17(20)19-12(13)3)18-10-14-8-11(2)6-7-16(14)21-4/h6-9,18H,5,10H2,1-4H3,(H,19,20)
InChIKey
BTKYDHWMZTUHMW-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-methoxy-5-methylphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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

patents stripe