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]+ 244.063596 151.4
[M+Na]+ 266.045538 163.5
[M-H]- 242.049044 155.4
[M+NH4]+ 261.090143 168.5
[M+K]+ 282.019478 156.8
[M+H-H2O]+ 226.053580 142.2
[M+HCOO]- 288.054521 169.2
[M+CH3COO]- 302.070171 164.4
[M+Na-2H]- 264.030986 159.0
[M]+ 243.05577142 155.3
[M]- 243.05686858 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