CID 454372

139547-91-4

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCC1=CC(=C(C=C1)OC)CNC2=CC(=C(NC2=O)C)CC
InChI
InChI=1S/C18H24N2O2/c1-5-13-7-8-17(22-4)15(9-13)11-19-16-10-14(6-2)12(3)20-18(16)21/h7-10,19H,5-6,11H2,1-4H3,(H,20,21)
InChIKey
RYMXRFRWLPSTHP-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(5-ethyl-2-methoxyphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

300.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.7
[M+Na]+ 323.17300 181.1
[M-H]- 299.17650 177.3
[M+NH4]+ 318.21760 186.4
[M+K]+ 339.14694 175.8
[M+H-H2O]+ 283.18104 164.2
[M+HCOO]- 345.18198 194.5
[M+CH3COO]- 359.19763 208.4
[M+Na-2H]- 321.15845 174.9
[M]+ 300.18323 175.3
[M]- 300.18433 175.3
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

patents stripe