CID 454403

143708-02-5

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)C=CC(=C3)C)C
InChI
InChI=1S/C17H19N3O2/c1-4-12-8-14(17(21)19-11(12)3)18-9-16-20-13-7-10(2)5-6-15(13)22-16/h5-8,18H,4,9H2,1-3H3,(H,19,21)
InChIKey
JWCXIOJNSULIAE-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(5-methyl-1,3-benzoxazol-2-yl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 170.5
[M+Na]+ 320.13696 181.7
[M-H]- 296.14046 176.3
[M+NH4]+ 315.18156 184.5
[M+K]+ 336.11090 176.5
[M+H-H2O]+ 280.14500 162.0
[M+HCOO]- 342.14594 192.3
[M+CH3COO]- 356.16159 182.6
[M+Na-2H]- 318.12241 175.1
[M]+ 297.14719 174.8
[M]- 297.14829 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.