CID 29110

18504-81-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

230
Patents

166.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 129.4
[M+Na]+ 189.00930 138.3
[M-H]- 165.01280 129.9
[M+NH4]+ 184.05390 148.3
[M+K]+ 204.98324 134.4
[M+H-H2O]+ 149.01734 123.2
[M+HCOO]- 211.01828 143.0
[M+CH3COO]- 225.03393 141.9
[M+Na-2H]- 186.99475 135.7
[M]+ 166.01953 127.2
[M]- 166.02063 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

literature stripe

Patent stripe

patents stripe