CID 4962025

5-(4-methylphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4
InChI
InChI=1S/C19H19N3O2S/c1-12-5-7-13(8-6-12)15-11-14(18(23)24)16-17(20-15)21-19(25-16)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,23,24)
InChIKey
AZLNHYOVLUPYEJ-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

353.1198 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.127076 181.9
[M+Na]+ 376.109018 190.4
[M-H]- 352.112524 187.7
[M+NH4]+ 371.153623 193.4
[M+K]+ 392.082958 183.8
[M+H-H2O]+ 336.117060 172.8
[M+HCOO]- 398.118001 193.0
[M+CH3COO]- 412.133651 191.3
[M+Na-2H]- 374.094466 181.1
[M]+ 353.11925142 182.2
[M]- 353.12034858 182.2
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.