CID 2560357

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

Structural Information

Molecular Formula
C18H16ClN3O2S
SMILES
C1CCN(CC1)C2=NC3=C(S2)C(=CC(=N3)C4=CC(=CC=C4)Cl)C(=O)O
InChI
InChI=1S/C18H16ClN3O2S/c19-12-6-4-5-11(9-12)14-10-13(17(23)24)15-16(20-14)21-18(25-15)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,23,24)
InChIKey
NQUARGOVHABFHH-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-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

373.0652 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.07248 183.0
[M+Na]+ 396.05442 192.6
[M-H]- 372.05792 188.9
[M+NH4]+ 391.09902 194.6
[M+K]+ 412.02836 185.2
[M+H-H2O]+ 356.06246 174.4
[M+HCOO]- 418.06340 189.9
[M+CH3COO]- 432.07905 192.5
[M+Na-2H]- 394.03987 182.4
[M]+ 373.06465 185.2
[M]- 373.06575 185.2
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.