CID 63772338

6-bromo-2-(diethoxymethyl)-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C11H14BrN3O2
SMILES
CCOC(C1=NC2=C(N1)C=C(C=N2)Br)OCC
InChI
InChI=1S/C11H14BrN3O2/c1-3-16-11(17-4-2)10-14-8-5-7(12)6-13-9(8)15-10/h5-6,11H,3-4H2,1-2H3,(H,13,14,15)
InChIKey
JFAQXNSLLVPOMU-UHFFFAOYSA-N
Compound name
6-bromo-2-(diethoxymethyl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.02695 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03423 157.4
[M+Na]+ 322.01617 170.1
[M-H]- 298.01967 160.1
[M+NH4]+ 317.06077 175.0
[M+K]+ 337.99011 158.9
[M+H-H2O]+ 282.02421 156.0
[M+HCOO]- 344.02515 175.2
[M+CH3COO]- 358.04080 196.7
[M+Na-2H]- 320.00162 164.0
[M]+ 299.02640 180.0
[M]- 299.02750 180.0
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.