CID 373078

18504-86-4

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1C(=O)NC2=C(S1)C=CN=C2
InChI
InChI=1S/C7H6N2OS/c10-7-4-11-6-1-2-8-3-5(6)9-7/h1-3H,4H2,(H,9,10)
InChIKey
GUGWLRYNQDGMSE-UHFFFAOYSA-N
Compound name
4H-pyrido[4,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

166.02008 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 130.7
[M+Na]+ 189.00930 143.7
[M+NH4]+ 184.05390 139.9
[M+K]+ 204.98324 135.2
[M-H]- 165.01280 132.3
[M+Na-2H]- 186.99475 136.6
[M]+ 166.01953 133.4
[M]- 166.02063 133.4
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