CID 65483846

2-(chloromethyl)-5-methoxy-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C8H8ClN3O
SMILES
COC1=NC2=C(C=C1)NC(=N2)CCl
InChI
InChI=1S/C8H8ClN3O/c1-13-7-3-2-5-8(12-7)11-6(4-9)10-5/h2-3H,4H2,1H3,(H,10,11,12)
InChIKey
YJFNTWVMDQOORI-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.03558 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04286 137.1
[M+Na]+ 220.02480 152.1
[M+NH4]+ 215.06940 145.4
[M+K]+ 235.99874 146.9
[M-H]- 196.02830 137.5
[M+Na-2H]- 218.01025 143.8
[M]+ 197.03503 139.6
[M]- 197.03613 139.6
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

No patent data available for this compound.