CID 204278

16025-11-9

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

COC1=C2C(=NC=N1)SCC(=O)N2

InChI

InChI=1S/C7H7N3O2S/c1-12-6-5-7(9-3-8-6)13-2-4(11)10-5/h3H,2H2,1H3,(H,10,11)

InChIKey

OYWFPLMLVSSSLE-UHFFFAOYSA-N

Compound name

4-methoxy-5H-pyrimido[4,5-b][1,4]thiazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 197.0259 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.03318	137.8
[M+Na]+	220.01512	147.5
[M-H]-	196.01862	137.1
[M+NH4]+	215.05972	154.2
[M+K]+	235.98906	143.8
[M+H-H2O]+	180.02316	130.8
[M+HCOO]-	242.02410	150.2
[M+CH3COO]-	256.03975	149.6
[M+Na-2H]-	218.00057	143.4
[M]+	197.02535	137.9
[M]-	197.02645	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe