CID 14199152

1-benzyl-4-chloro-1h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C13H10ClN3
SMILES
C1=CC=C(C=C1)CN2C=NC3=C2C=CN=C3Cl
InChI
InChI=1S/C13H10ClN3/c14-13-12-11(6-7-15-13)17(9-16-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
HQJCQBUYLDPQAG-UHFFFAOYSA-N
Compound name
1-benzyl-4-chloroimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.05632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06360 151.4
[M+Na]+ 266.04554 163.5
[M-H]- 242.04904 155.4
[M+NH4]+ 261.09014 168.5
[M+K]+ 282.01948 156.8
[M+H-H2O]+ 226.05358 142.2
[M+HCOO]- 288.05452 169.2
[M+CH3COO]- 302.07017 164.4
[M+Na-2H]- 264.03099 159.0
[M]+ 243.05577 155.3
[M]- 243.05687 155.3
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