CID 2560413

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

Structural Information

Molecular Formula
C18H17N3O2S
SMILES
C1CCN(CC1)C2=NC3=C(S2)C(=CC(=N3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C18H17N3O2S/c22-17(23)13-11-14(12-7-3-1-4-8-12)19-16-15(13)24-18(20-16)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,22,23)
InChIKey
VOURJZUOTXNCLL-UHFFFAOYSA-N
Compound name
5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

339.10416 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11144 176.8
[M+Na]+ 362.09338 185.1
[M-H]- 338.09688 182.5
[M+NH4]+ 357.13798 188.6
[M+K]+ 378.06732 178.6
[M+H-H2O]+ 322.10142 167.7
[M+HCOO]- 384.10236 188.4
[M+CH3COO]- 398.11801 186.4
[M+Na-2H]- 360.07883 177.3
[M]+ 339.10361 176.4
[M]- 339.10471 176.4
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

patents stripe