CID 4166894

3-methyl-1h,2h,3h-pyrido[2,3-b][1,4]oxazin-2-one

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC1C(=O)NC2=C(O1)N=CC=C2
InChI
InChI=1S/C8H8N2O2/c1-5-7(11)10-6-3-2-4-9-8(6)12-5/h2-5H,1H3,(H,10,11)
InChIKey
SGXRJMPCRXELRU-UHFFFAOYSA-N
Compound name
3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 131.9
[M+Na]+ 187.04780 141.0
[M-H]- 163.05130 133.1
[M+NH4]+ 182.09240 149.1
[M+K]+ 203.02174 139.1
[M+H-H2O]+ 147.05584 124.9
[M+HCOO]- 209.05678 149.4
[M+CH3COO]- 223.07243 144.8
[M+Na-2H]- 185.03325 140.7
[M]+ 164.05803 130.1
[M]- 164.05913 130.1
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

patents stripe