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]+ 354.12708 181.9
[M+Na]+ 376.10902 190.4
[M-H]- 352.11252 187.7
[M+NH4]+ 371.15362 193.4
[M+K]+ 392.08296 183.8
[M+H-H2O]+ 336.11706 172.8
[M+HCOO]- 398.11800 193.0
[M+CH3COO]- 412.13365 191.3
[M+Na-2H]- 374.09447 181.1
[M]+ 353.11925 182.2
[M]- 353.12035 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.