CID 5271646

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

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CCCN1C(=O)C2=C(S1)N=CC=C2
InChI
InChI=1S/C9H10N2OS/c1-2-6-11-9(12)7-4-3-5-10-8(7)13-11/h3-5H,2,6H2,1H3
InChIKey
BBDPBGJOHPLXRE-UHFFFAOYSA-N
Compound name
2-propyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 137.3
[M+Na]+ 217.04061 150.0
[M-H]- 193.04411 140.6
[M+NH4]+ 212.08521 158.4
[M+K]+ 233.01455 146.2
[M+H-H2O]+ 177.04865 131.2
[M+HCOO]- 239.04959 156.8
[M+CH3COO]- 253.06524 151.9
[M+Na-2H]- 215.02606 142.2
[M]+ 194.05084 143.2
[M]- 194.05194 143.2
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.