CID 24844892

2h-pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-ethyl-4-(1-oxopropyl)-

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCC1CN(C2=C(O1)C=CC=N2)C(=O)CC
InChI
InChI=1S/C12H16N2O2/c1-3-9-8-14(11(15)4-2)12-10(16-9)6-5-7-13-12/h5-7,9H,3-4,8H2,1-2H3
InChIKey
BYVDKYUEQWNDRA-UHFFFAOYSA-N
Compound name
1-(2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.2
[M+Na]+ 243.11041 157.8
[M-H]- 219.11391 152.2
[M+NH4]+ 238.15501 165.8
[M+K]+ 259.08435 156.3
[M+H-H2O]+ 203.11845 142.2
[M+HCOO]- 265.11939 166.8
[M+CH3COO]- 279.13504 189.6
[M+Na-2H]- 241.09586 156.1
[M]+ 220.12064 150.9
[M]- 220.12174 150.9
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.