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 192.3
[M+Na]+ 422.11449 200.5
[M-H]- 398.11799 198.3
[M+NH4]+ 417.15909 201.8
[M+K]+ 438.08843 195.1
[M+H-H2O]+ 382.12253 183.0
[M+HCOO]- 444.12347 203.3
[M+CH3COO]- 458.13912 201.1
[M+Na-2H]- 420.09994 190.9
[M]+ 399.12472 196.1
[M]- 399.12582 196.1
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.