CID 135508874

Schembl8435465

Structural Information

Molecular Formula

C₈H₁₀N₄O₄S

SMILES

C(COCN1C2=C(C(=O)NC(=N2)N)SC1=O)O

InChI

InChI=1S/C8H10N4O4S/c9-7-10-5-4(6(14)11-7)17-8(15)12(5)3-16-2-1-13/h13H,1-3H2,(H3,9,10,11,14)

InChIKey

NSGDRUPUQOPKHY-UHFFFAOYSA-N

Compound name

5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 258.04227 Da
Monoisotopic Mass: -1.7
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]+	259.04955	150.6
[M+Na]+	281.03149	162.9
[M-H]-	257.03499	149.9
[M+NH4]+	276.07609	165.7
[M+K]+	297.00543	157.9
[M+H-H2O]+	241.03953	144.2
[M+HCOO]-	303.04047	167.1
[M+CH3COO]-	317.05612	188.8
[M+Na-2H]-	279.01694	153.9
[M]+	258.04172	155.5
[M]-	258.04282	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe