CID 88499

20348-09-8

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1C(=O)NC2=C(O1)C=CC=N2
InChI
InChI=1S/C7H6N2O2/c10-6-4-11-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10)
InChIKey
ANHQLUBMNSSPBV-UHFFFAOYSA-N
Compound name
4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4259
Patents

150.04292 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 126.9
[M+Na]+ 173.03214 135.5
[M-H]- 149.03564 127.9
[M+NH4]+ 168.07674 144.3
[M+K]+ 189.00608 133.8
[M+H-H2O]+ 133.04018 119.8
[M+HCOO]- 195.04112 144.7
[M+CH3COO]- 209.05677 139.9
[M+Na-2H]- 171.01759 137.0
[M]+ 150.04237 124.3
[M]- 150.04347 124.3
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