CID 16227786

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

Structural Information

Molecular Formula
C16H14N4O2S
SMILES
C1CCN(C1)C2=NC3=C(S2)C(=CC(=N3)C4=CN=CC=C4)C(=O)O
InChI
InChI=1S/C16H14N4O2S/c21-15(22)11-8-12(10-4-3-5-17-9-10)18-14-13(11)23-16(19-14)20-6-1-2-7-20/h3-5,8-9H,1-2,6-7H2,(H,21,22)
InChIKey
HQOUPAQXUBLOFO-UHFFFAOYSA-N
Compound name
5-pyridin-3-yl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08374 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09102 172.7
[M+Na]+ 349.07296 183.0
[M-H]- 325.07646 178.6
[M+NH4]+ 344.11756 186.0
[M+K]+ 365.04690 177.5
[M+H-H2O]+ 309.08100 164.5
[M+HCOO]- 371.08194 186.2
[M+CH3COO]- 385.09759 183.5
[M+Na-2H]- 347.05841 171.9
[M]+ 326.08319 174.9
[M]- 326.08429 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.