CID 486979

3-(dimethylamino)-5-ethyl-6-methyl-4-[(3-methylanilino)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C18H25N3O
SMILES
CCC1=C(NC(=O)C(=C1CNC2=CC=CC(=C2)C)N(C)C)C
InChI
InChI=1S/C18H25N3O/c1-6-15-13(3)20-18(22)17(21(4)5)16(15)11-19-14-9-7-8-12(2)10-14/h7-10,19H,6,11H2,1-5H3,(H,20,22)
InChIKey
CJJRIYPZBGZIKW-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(3-methylanilino)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.8
[M+Na]+ 322.18899 181.5
[M-H]- 298.19249 179.8
[M+NH4]+ 317.23359 187.8
[M+K]+ 338.16293 177.0
[M+H-H2O]+ 282.19703 165.0
[M+HCOO]- 344.19797 196.8
[M+CH3COO]- 358.21362 214.7
[M+Na-2H]- 320.17444 175.6
[M]+ 299.19922 175.5
[M]- 299.20032 175.5
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.