CID 13259024

6-chloro-2-(5-chloro-2-thienyl)imidazo(1,2-a)pyridine-3-acetic acid

Structural Information

Molecular Formula
C13H8Cl2N2O2S
SMILES
C1=CC2=NC(=C(N2C=C1Cl)CC(=O)O)C3=CC=C(S3)Cl
InChI
InChI=1S/C13H8Cl2N2O2S/c14-7-1-4-11-16-13(9-2-3-10(15)20-9)8(5-12(18)19)17(11)6-7/h1-4,6H,5H2,(H,18,19)
InChIKey
BAVOSNGETQQIOF-UHFFFAOYSA-N
Compound name
2-[6-chloro-2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.96835 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97563 169.5
[M+Na]+ 348.95757 183.2
[M-H]- 324.96107 175.0
[M+NH4]+ 344.00217 187.6
[M+K]+ 364.93151 176.4
[M+H-H2O]+ 308.96561 164.5
[M+HCOO]- 370.96655 177.9
[M+CH3COO]- 384.98220 181.9
[M+Na-2H]- 346.94302 168.1
[M]+ 325.96780 177.9
[M]- 325.96890 177.9
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.