CID 204277

4h-pyrimido(4,5-b)(1,4)thiazine-4,6(7h)-dione, 1,5-dihydro-

Structural Information

Molecular Formula

C₆H₅N₃O₂S

SMILES

C1C(=O)NC2=C(S1)N=CNC2=O

InChI

InChI=1S/C6H5N3O2S/c10-3-1-12-6-4(9-3)5(11)7-2-8-6/h2H,1H2,(H,9,10)(H,7,8,11)

InChIKey

QIIQKLPJDSPZIW-UHFFFAOYSA-N

Compound name

3,5-dihydropyrimido[4,5-b][1,4]thiazine-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 183.01025 Da
Monoisotopic Mass: -0.8
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]+	184.017526	133.6
[M+Na]+	205.999468	143.6
[M-H]-	182.002974	131.7
[M+NH4]+	201.044073	149.8
[M+K]+	221.973408	138.6
[M+H-H2O]+	166.007510	127.2
[M+HCOO]-	228.008451	145.0
[M+CH3COO]-	242.024101	145.2
[M+Na-2H]-	203.984916	139.2
[M]+	183.00970142	130.9
[M]-	183.01079858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe