CID 487016

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

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC=C2)N(C)CCOC)C
InChI
InChI=1S/C19H26N2O2/c1-5-16-14(2)20-19(22)18(21(3)11-12-23-4)17(16)13-15-9-7-6-8-10-15/h6-10H,5,11-13H2,1-4H3,(H,20,22)
InChIKey
ZXXFGUMHPXCKMO-UHFFFAOYSA-N
Compound name
4-benzyl-5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.0
[M+Na]+ 337.18865 184.1
[M-H]- 313.19215 182.4
[M+NH4]+ 332.23325 190.4
[M+K]+ 353.16259 179.9
[M+H-H2O]+ 297.19669 167.8
[M+HCOO]- 359.19763 198.9
[M+CH3COO]- 373.21328 213.4
[M+Na-2H]- 335.17410 178.7
[M]+ 314.19888 180.7
[M]- 314.19998 180.7
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.