CID 454371

145901-99-1

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCC1=CC(=C(C=C1)CNC2=CC(=C(NC2=O)C)CC)OC
InChI
InChI=1S/C18H24N2O2/c1-5-13-7-8-15(17(9-13)22-4)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
CWLVXHURNMJUMC-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(4-ethyl-2-methoxyphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.