CID 591737

13316-09-1

Structural Information

Molecular Formula

C₆H₄ClN₃S

SMILES

CC1=NC2=C(C(=N1)Cl)N=CS2

InChI

InChI=1S/C6H4ClN3S/c1-3-9-5(7)4-6(10-3)11-2-8-4/h2H,1H3

InChIKey

YRFFHMTVGVHVMB-UHFFFAOYSA-N

Compound name

7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.98145 Da
Monoisotopic Mass: 2.4
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]+	185.98873	133.0
[M+Na]+	207.97067	148.9
[M+NH4]+	203.01527	142.8
[M+K]+	223.94461	141.0
[M-H]-	183.97417	134.7
[M+Na-2H]-	205.95612	140.1
[M]+	184.98090	136.6
[M]-	184.98200	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe