CID 87282

17744-99-9

Structural Information

Molecular Formula
C15H10ClN3
SMILES
C1=CC2=NC(=C(N2C=C1)CC#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClN3/c16-12-6-4-11(5-7-12)15-13(8-9-17)19-10-2-1-3-14(19)18-15/h1-7,10H,8H2
InChIKey
FSAJGWYHQNFYRC-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

267.05634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06362 160.3
[M+Na]+ 290.04556 176.9
[M+NH4]+ 285.09016 166.3
[M+K]+ 306.01950 165.9
[M-H]- 266.04906 157.3
[M+Na-2H]- 288.03101 167.0
[M]+ 267.05579 161.5
[M]- 267.05689 161.5
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