CID 2560376

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

Structural Information

Molecular Formula
C20H21N3O4S
SMILES
COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4)OC
InChI
InChI=1S/C20H21N3O4S/c1-26-15-7-6-12(10-16(15)27-2)14-11-13(19(24)25)17-18(21-14)22-20(28-17)23-8-4-3-5-9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,24,25)
InChIKey
ZBLKPNYMTKPSHR-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-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

399.12527 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13255 192.1
[M+Na]+ 422.11449 205.7
[M+NH4]+ 417.15909 198.6
[M+K]+ 438.08843 199.3
[M-H]- 398.11799 195.9
[M+Na-2H]- 420.09994 198.3
[M]+ 399.12472 195.5
[M]- 399.12582 195.5
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.