CID 454342

139548-01-9

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC1=CC(=C(N=C1C)OC)CCC2=CC(=C(NC2=O)C)CC
InChI
InChI=1S/C19H26N2O2/c1-6-14-10-16(18(22)20-12(14)3)8-9-17-11-15(7-2)13(4)21-19(17)23-5/h10-11H,6-9H2,1-5H3,(H,20,22)
InChIKey
AFXWBBROMDHMPD-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

314.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.6
[M+Na]+ 337.18865 187.3
[M-H]- 313.19215 181.0
[M+NH4]+ 332.23325 189.9
[M+K]+ 353.16259 181.6
[M+H-H2O]+ 297.19669 168.6
[M+HCOO]- 359.19763 196.5
[M+CH3COO]- 373.21328 210.3
[M+Na-2H]- 335.17410 178.1
[M]+ 314.19888 182.1
[M]- 314.19998 182.1
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