CID 454402

143708-00-3

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=COC=C2)C
InChI
InChI=1S/C13H16N2O2/c1-3-11-6-12(13(16)15-9(11)2)14-7-10-4-5-17-8-10/h4-6,8,14H,3,7H2,1-2H3,(H,15,16)
InChIKey
NDPNEMJSWSUSTC-UHFFFAOYSA-N
Compound name
5-ethyl-3-(furan-3-ylmethylamino)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.7
[M+Na]+ 255.11041 160.5
[M-H]- 231.11391 157.1
[M+NH4]+ 250.15501 168.2
[M+K]+ 271.08435 157.2
[M+H-H2O]+ 215.11845 144.4
[M+HCOO]- 277.11939 175.1
[M+CH3COO]- 291.13504 190.7
[M+Na-2H]- 253.09586 156.3
[M]+ 232.12064 153.1
[M]- 232.12174 153.1
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.