CID 454392

143707-88-4

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC=C(O2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H19N3O2/c1-3-13-9-15(18(22)21-12(13)2)19-11-17-20-10-16(23-17)14-7-5-4-6-8-14/h4-10,19H,3,11H2,1-2H3,(H,21,22)
InChIKey
ZKPFTUVOVRUUCT-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 173.3
[M+Na]+ 332.13696 182.1
[M-H]- 308.14046 180.7
[M+NH4]+ 327.18156 185.0
[M+K]+ 348.11090 176.9
[M+H-H2O]+ 292.14500 163.7
[M+HCOO]- 354.14594 195.0
[M+CH3COO]- 368.16159 184.5
[M+Na-2H]- 330.12241 176.6
[M]+ 309.14719 174.8
[M]- 309.14829 174.8
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.