CID 173760

4,6-dimethylisothiazolo[5,4-b]pyridin-3(2h)-one

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=CC(=NC2=C1C(=O)NS2)C
InChI
InChI=1S/C8H8N2OS/c1-4-3-5(2)9-8-6(4)7(11)10-12-8/h3H,1-2H3,(H,10,11)
InChIKey
LXCCCCOECARKEZ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

16
Patents

180.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 133.0
[M+Na]+ 203.02496 146.6
[M-H]- 179.02846 135.5
[M+NH4]+ 198.06956 154.4
[M+K]+ 218.99890 142.1
[M+H-H2O]+ 163.03300 127.7
[M+HCOO]- 225.03394 151.3
[M+CH3COO]- 239.04959 147.8
[M+Na-2H]- 201.01041 137.4
[M]+ 180.03519 137.2
[M]- 180.03629 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe