CID 3070294

2-ethyl-4-(2-hydroxy-3-(1-piperidinyl)propyl)-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one

Structural Information

Molecular Formula
C17H25N3O3
SMILES
CCC1C(=O)N(C2=C(O1)C=CC=N2)CC(CN3CCCCC3)O
InChI
InChI=1S/C17H25N3O3/c1-2-14-17(22)20(16-15(23-14)7-6-8-18-16)12-13(21)11-19-9-4-3-5-10-19/h6-8,13-14,21H,2-5,9-12H2,1H3
InChIKey
FYBRVALMWWUWQG-UHFFFAOYSA-N
Compound name
2-ethyl-4-(2-hydroxy-3-piperidin-1-ylpropyl)pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1896 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.19688 179.2
[M+Na]+ 342.17882 182.9
[M-H]- 318.18232 180.2
[M+NH4]+ 337.22342 187.7
[M+K]+ 358.15276 179.6
[M+H-H2O]+ 302.18686 168.5
[M+HCOO]- 364.18780 188.2
[M+CH3COO]- 378.20345 206.1
[M+Na-2H]- 340.16427 180.4
[M]+ 319.18905 175.1
[M]- 319.19015 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.