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

1
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

patents stripe