CID 454358

145901-88-8

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCC1=CC=CC=C1CNC2=CC(=C(NC2=O)C)CC
InChI
InChI=1S/C17H22N2O/c1-4-13-8-6-7-9-15(13)11-18-16-10-14(5-2)12(3)19-17(16)20/h6-10,18H,4-5,11H2,1-3H3,(H,19,20)
InChIKey
KIKKPRBEMAXBTP-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-ethylphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.9
[M+Na]+ 293.16244 172.9
[M-H]- 269.16594 169.3
[M+NH4]+ 288.20704 179.6
[M+K]+ 309.13638 167.2
[M+H-H2O]+ 253.17048 156.7
[M+HCOO]- 315.17142 186.8
[M+CH3COO]- 329.18707 202.0
[M+Na-2H]- 291.14789 168.4
[M]+ 270.17267 165.3
[M]- 270.17377 165.3
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.