CID 50987378

6-bromo-2-(oxolan-2-yl)-4h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula

C₁₀H₁₀BrN₃O

SMILES

C1CC(OC1)C2=NC3=C(N2)C=C(C=N3)Br

InChI

InChI=1S/C10H10BrN3O/c11-6-4-7-9(12-5-6)14-10(13-7)8-2-1-3-15-8/h4-5,8H,1-3H2,(H,12,13,14)

InChIKey

ISQJHJLODREZKE-UHFFFAOYSA-N

Compound name

6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.00073 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.008006	150.8
[M+Na]+	289.989948	163.9
[M-H]-	265.993454	157.3
[M+NH4]+	285.034553	169.9
[M+K]+	305.963888	153.7
[M+H-H2O]+	249.997990	150.2
[M+HCOO]-	311.998931	168.5
[M+CH3COO]-	326.014581	165.3
[M+Na-2H]-	287.975396	156.7
[M]+	267.00018142	168.9
[M]-	267.00127858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.