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

38
Patents

166.02008 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 129.4
[M+Na]+ 189.009298 138.3
[M-H]- 165.012804 129.9
[M+NH4]+ 184.053903 148.3
[M+K]+ 204.983238 134.4
[M+H-H2O]+ 149.017340 123.2
[M+HCOO]- 211.018281 143.0
[M+CH3COO]- 225.033931 141.9
[M+Na-2H]- 186.994746 135.7
[M]+ 166.01953142 127.2
[M]- 166.02062858 127.2
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