CID 454341

139548-16-6

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCC1=C(NC(=O)C(=C1)CNC2=CC(=C(NC2=O)C)CC)C
InChI
InChI=1S/C17H23N3O2/c1-5-12-7-14(16(21)19-10(12)3)9-18-15-8-13(6-2)11(4)20-17(15)22/h7-8,18H,5-6,9H2,1-4H3,(H,19,21)(H,20,22)
InChIKey
RJIANGMHHUPYLI-UHFFFAOYSA-N
Compound name
5-ethyl-3-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.17902 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 173.5
[M+Na]+ 324.16824 183.0
[M-H]- 300.17174 175.9
[M+NH4]+ 319.21284 185.3
[M+K]+ 340.14218 176.2
[M+H-H2O]+ 284.17628 164.9
[M+HCOO]- 346.17722 192.8
[M+CH3COO]- 360.19287 206.5
[M+Na-2H]- 322.15369 175.0
[M]+ 301.17847 174.1
[M]- 301.17957 174.1
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

No patent data available for this compound.