CID 85580541

2h,3h,4h-pyrido[3,2-e][1,3]thiazin-4-one

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1NC(=O)C2=C(S1)N=CC=C2
InChI
InChI=1S/C7H6N2OS/c10-6-5-2-1-3-8-7(5)11-4-9-6/h1-3H,4H2,(H,9,10)
InChIKey
OHHWAEBUDSKUPJ-UHFFFAOYSA-N
Compound name
2,3-dihydropyrido[3,2-e][1,3]thiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.02008 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe