CID 7130677

3,7-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

Structural Information

Molecular Formula
C10H8N2OS
SMILES
CC1=CC(=O)N2C(=CSC2=C1C#N)C
InChI
InChI=1S/C10H8N2OS/c1-6-3-9(13)12-7(2)5-14-10(12)8(6)4-11/h3,5H,1-2H3
InChIKey
YQLHSTADBBGTBK-UHFFFAOYSA-N
Compound name
3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.03574 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 146.5
[M+Na]+ 227.02496 162.0
[M-H]- 203.02846 151.2
[M+NH4]+ 222.06956 166.7
[M+K]+ 242.99890 156.9
[M+H-H2O]+ 187.03300 134.6
[M+HCOO]- 249.03394 163.2
[M+CH3COO]- 263.04959 159.9
[M+Na-2H]- 225.01041 149.2
[M]+ 204.03519 147.3
[M]- 204.03629 147.3
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

No patent data available for this compound.