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

2
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

patents stripe