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]+ 335.034876 172.0
[M+Na]+ 357.016818 184.1
[M-H]- 333.020324 175.9
[M+NH4]+ 352.061423 186.9
[M+K]+ 372.990758 176.3
[M+H-H2O]+ 317.024860 164.5
[M+HCOO]- 379.025801 183.2
[M+CH3COO]- 393.041451 183.4
[M+Na-2H]- 355.002266 174.5
[M]+ 334.02705142 178.3
[M]- 334.02814858 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