CID 486953

5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCOC)C
InChI
InChI=1S/C20H28N2O2/c1-6-17-15(3)21-20(23)19(22(4)10-11-24-5)18(17)13-16-9-7-8-14(2)12-16/h7-9,12H,6,10-11,13H2,1-5H3,(H,21,23)
InChIKey
USWKTQVAABDFSY-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

328.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 181.3
[M+Na]+ 351.20432 188.9
[M-H]- 327.20782 187.0
[M+NH4]+ 346.24892 194.5
[M+K]+ 367.17826 184.6
[M+H-H2O]+ 311.21236 172.2
[M+HCOO]- 373.21330 202.9
[M+CH3COO]- 387.22895 217.7
[M+Na-2H]- 349.18977 181.8
[M]+ 328.21455 185.8
[M]- 328.21565 185.8
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