CID 135319639

2095863-27-5

Structural Information

Molecular Formula

C₆H₄ClN₃S

SMILES

CC1=CN=C2C(=N1)SC(=N2)Cl

InChI

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

InChIKey

PEEMIMJYGJVDQH-UHFFFAOYSA-N

Compound name

2-chloro-6-methyl-[1,3]thiazolo[4,5-b]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 184.98145 Da
Monoisotopic Mass: 2.3
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