CID 13267858

Imidazo(1,2-a)pyridine-3-propanoic acid, 6-chloro-2-(4-chlorophenyl)-

Structural Information

Molecular Formula
C16H12Cl2N2O2
SMILES
C1=CC(=CC=C1C2=C(N3C=C(C=CC3=N2)Cl)CCC(=O)O)Cl
InChI
InChI=1S/C16H12Cl2N2O2/c17-11-3-1-10(2-4-11)16-13(6-8-15(21)22)20-9-12(18)5-7-14(20)19-16/h1-5,7,9H,6,8H2,(H,21,22)
InChIKey
URXVRKGRDYTQIO-UHFFFAOYSA-N
Compound name
3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.0276 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 172.0
[M+Na]+ 357.01682 184.1
[M-H]- 333.02032 175.9
[M+NH4]+ 352.06142 186.9
[M+K]+ 372.99076 176.3
[M+H-H2O]+ 317.02486 164.5
[M+HCOO]- 379.02580 183.2
[M+CH3COO]- 393.04145 183.4
[M+Na-2H]- 355.00227 174.5
[M]+ 334.02705 178.3
[M]- 334.02815 178.3
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

patents stripe