CID 13259033

88571-10-2

Structural Information

Molecular Formula
C14H9Cl2N3O2
SMILES
C1=CC(=NC=C1Cl)C2=C(N3C=C(C=CC3=N2)Cl)CC(=O)O
InChI
InChI=1S/C14H9Cl2N3O2/c15-8-1-3-10(17-6-8)14-11(5-13(20)21)19-7-9(16)2-4-12(19)18-14/h1-4,6-7H,5H2,(H,20,21)
InChIKey
SBGIYPKSPRKEME-UHFFFAOYSA-N
Compound name
2-[6-chloro-2-(5-chloropyridin-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

321.00717 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01445 166.5
[M+Na]+ 343.99639 179.3
[M-H]- 319.99989 169.3
[M+NH4]+ 339.04099 180.5
[M+K]+ 359.97033 171.9
[M+H-H2O]+ 304.00443 158.3
[M+HCOO]- 366.00537 176.9
[M+CH3COO]- 380.02102 177.9
[M+Na-2H]- 341.98184 170.0
[M]+ 321.00662 172.4
[M]- 321.00772 172.4
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.