CID 55277141

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

Structural Information

Molecular Formula
C6H4ClN3S
SMILES
CC1=NC2=NC=C(N=C2S1)Cl
InChI
InChI=1S/C6H4ClN3S/c1-3-9-5-6(11-3)10-4(7)2-8-5/h2H,1H3
InChIKey
HDSFRGYQJLGSHB-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-[1,3]thiazolo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.98145 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.98873 130.9
[M+Na]+ 207.97067 145.4
[M-H]- 183.97417 133.1
[M+NH4]+ 203.01527 152.0
[M+K]+ 223.94461 140.9
[M+H-H2O]+ 167.97871 125.1
[M+HCOO]- 229.97965 145.0
[M+CH3COO]- 243.99530 145.8
[M+Na-2H]- 205.95612 136.6
[M]+ 184.98090 137.1
[M]- 184.98200 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.