CID 454343

Chembl83412

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C=C(C(=C2)C)C)OC)C
InChI
InChI=1S/C18H24N2O2/c1-6-14-9-16(18(21)20-13(14)4)19-10-15-7-11(2)12(3)8-17(15)22-5/h7-9,19H,6,10H2,1-5H3,(H,20,21)
InChIKey
KKAIXITUVPCYNR-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

300.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.7
[M+Na]+ 323.17300 182.0
[M-H]- 299.17650 177.7
[M+NH4]+ 318.21760 186.7
[M+K]+ 339.14694 176.7
[M+H-H2O]+ 283.18104 164.4
[M+HCOO]- 345.18198 194.4
[M+CH3COO]- 359.19763 209.7
[M+Na-2H]- 321.15845 174.2
[M]+ 300.18323 175.7
[M]- 300.18433 175.7
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