CID 2560357

852388-72-8

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 182.6
[M+Na]+ 396.05442 198.2
[M+NH4]+ 391.09902 190.8
[M+K]+ 412.02836 189.9
[M-H]- 372.05792 187.4
[M+Na-2H]- 394.03987 190.4
[M]+ 373.06465 187.0
[M]- 373.06575 187.0
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.