CID 216616

Brn 0532622

Structural Information

Molecular Formula

C₆H₆N₄O₂S

SMILES

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

InChI

InChI=1S/C6H6N4O2S/c7-6-9-4(12)3-5(10-6)13-1-2(11)8-3/h1H2,(H,8,11)(H3,7,9,10,12)

InChIKey

VBUNOJCOBXQBIK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.02115 Da
Monoisotopic Mass: -1.4
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]+	199.028426	137.7
[M+Na]+	221.010368	147.7
[M-H]-	197.013874	135.6
[M+NH4]+	216.054973	153.0
[M+K]+	236.984308	142.1
[M+H-H2O]+	181.018410	131.3
[M+HCOO]-	243.019351	149.4
[M+CH3COO]-	257.035001	148.8
[M+Na-2H]-	218.995816	142.3
[M]+	198.02060142	133.7
[M]-	198.02169858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.