CID 58357227

1204742-81-3

Structural Information

Molecular Formula

C₇H₅ClN₄OS

SMILES

CC(=O)NC1=NC2=CN=C(N=C2S1)Cl

InChI

InChI=1S/C7H5ClN4OS/c1-3(13)10-7-11-4-2-9-6(8)12-5(4)14-7/h2H,1H3,(H,10,11,13)

InChIKey

DFRWDPNEJKZMQC-UHFFFAOYSA-N

Compound name

N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 227.98726 Da
Monoisotopic Mass: 1.5
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]+	228.99454	142.4
[M+Na]+	250.97648	155.2
[M-H]-	226.97998	144.5
[M+NH4]+	246.02108	161.1
[M+K]+	266.95042	150.6
[M+H-H2O]+	210.98452	136.1
[M+HCOO]-	272.98546	156.5
[M+CH3COO]-	287.00111	155.9
[M+Na-2H]-	248.96193	147.4
[M]+	227.98671	148.3
[M]-	227.98781	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe