CID 5271648

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

Structural Information

Molecular Formula
C11H14N2OS
SMILES
CCCCCN1C(=O)C2=C(S1)N=CC=C2
InChI
InChI=1S/C11H14N2OS/c1-2-3-4-8-13-11(14)9-6-5-7-12-10(9)15-13/h5-7H,2-4,8H2,1H3
InChIKey
QMWMMDAEQXGDGT-UHFFFAOYSA-N
Compound name
2-pentyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.08269 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 146.3
[M+Na]+ 245.07191 158.1
[M-H]- 221.07541 149.2
[M+NH4]+ 240.11651 166.3
[M+K]+ 261.04585 153.9
[M+H-H2O]+ 205.07995 139.8
[M+HCOO]- 267.08089 165.2
[M+CH3COO]- 281.09654 187.1
[M+Na-2H]- 243.05736 150.2
[M]+ 222.08214 152.9
[M]- 222.08324 152.9
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.