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]+ 327.091016 172.7
[M+Na]+ 349.072958 183.0
[M-H]- 325.076464 178.6
[M+NH4]+ 344.117563 186.0
[M+K]+ 365.046898 177.5
[M+H-H2O]+ 309.081000 164.5
[M+HCOO]- 371.081941 186.2
[M+CH3COO]- 385.097591 183.5
[M+Na-2H]- 347.058406 171.9
[M]+ 326.08319142 174.9
[M]- 326.08428858 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.