CID 2063597

62773-09-5

Structural Information

Molecular Formula

C₇H₅ClN₂OS

SMILES

C1=CSC2=NC(=CC(=O)N21)CCl

InChI

InChI=1S/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2

InChIKey

WANAHALOOUKFKI-UHFFFAOYSA-N

Compound name

7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 199.98111 Da
Monoisotopic Mass: 0.6
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]+	200.98839	134.5
[M+Na]+	222.97033	148.6
[M-H]-	198.97383	138.0
[M+NH4]+	218.01493	156.2
[M+K]+	238.94427	143.8
[M+H-H2O]+	182.97837	129.3
[M+HCOO]-	244.97931	149.9
[M+CH3COO]-	258.99496	149.5
[M+Na-2H]-	220.95578	139.9
[M]+	199.98056	141.4
[M]-	199.98166	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe