CID 5271647

2-butylisothiazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C10H12N2OS
SMILES
CCCCN1C(=O)C2=C(S1)N=CC=C2
InChI
InChI=1S/C10H12N2OS/c1-2-3-7-12-10(13)8-5-4-6-11-9(8)14-12/h4-6H,2-3,7H2,1H3
InChIKey
HTWAQNHMRUCYRU-UHFFFAOYSA-N
Compound name
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.06703 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 141.8
[M+Na]+ 231.05625 154.1
[M-H]- 207.05975 144.9
[M+NH4]+ 226.10085 162.4
[M+K]+ 247.03019 150.0
[M+H-H2O]+ 191.06429 135.5
[M+HCOO]- 253.06523 161.0
[M+CH3COO]- 267.08088 156.0
[M+Na-2H]- 229.04170 146.2
[M]+ 208.06648 148.1
[M]- 208.06758 148.1
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.