CID 45480402

2h-pyrido[3,2-b]-1,4-oxazin-3(4h)-one, 6-amino-2,2-dimethyl-

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC1(C(=O)NC2=C(O1)C=CC(=N2)N)C
InChI
InChI=1S/C9H11N3O2/c1-9(2)8(13)12-7-5(14-9)3-4-6(10)11-7/h3-4H,1-2H3,(H3,10,11,12,13)
InChIKey
HSYOWUOUDXDSMC-UHFFFAOYSA-N
Compound name
6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

193.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.2
[M+Na]+ 216.074348 151.1
[M-H]- 192.077854 142.6
[M+NH4]+ 211.118953 159.1
[M+K]+ 232.048288 148.8
[M+H-H2O]+ 176.082390 134.6
[M+HCOO]- 238.083331 158.8
[M+CH3COO]- 252.098981 183.0
[M+Na-2H]- 214.059796 149.3
[M]+ 193.08458142 139.0
[M]- 193.08567858 139.0
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