CID 17604716

943656-55-1

Structural Information

Molecular Formula

C₈H₇ClN₂OS

SMILES

CC1=CN2C(=O)C=C(N=C2S1)CCl

InChI

InChI=1S/C8H7ClN2OS/c1-5-4-11-7(12)2-6(3-9)10-8(11)13-5/h2,4H,3H2,1H3

InChIKey

FNZCXIFIXPCDQH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 213.99677 Da
Monoisotopic Mass: 0.9
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]+	215.004046	139.0
[M+Na]+	236.985988	153.5
[M-H]-	212.989494	142.7
[M+NH4]+	232.030593	160.5
[M+K]+	252.959928	148.5
[M+H-H2O]+	196.994030	133.9
[M+HCOO]-	258.994971	154.1
[M+CH3COO]-	273.010621	153.9
[M+Na-2H]-	234.971436	143.2
[M]+	213.99622142	146.7
[M]-	213.99731858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe