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 162.2
[M+Na]+ 290.04556 176.3
[M-H]- 266.04906 165.5
[M+NH4]+ 285.09016 177.7
[M+K]+ 306.01950 166.6
[M+H-H2O]+ 250.05360 147.0
[M+HCOO]- 312.05454 177.1
[M+CH3COO]- 326.07019 173.1
[M+Na-2H]- 288.03101 166.9
[M]+ 267.05579 160.7
[M]- 267.05689 160.7
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