CID 13680201

8-(benzyloxy)-3-bromoimidazo[1,2-a]pyridine

Structural Information

Molecular Formula

C₁₄H₁₁BrN₂O

SMILES

C1=CC=C(C=C1)COC2=CC=CN3C2=NC=C3Br

InChI

InChI=1S/C14H11BrN2O/c15-13-9-16-14-12(7-4-8-17(13)14)18-10-11-5-2-1-3-6-11/h1-9H,10H2

InChIKey

MNOURXQMSYWOFL-UHFFFAOYSA-N

Compound name

3-bromo-8-phenylmethoxyimidazo[1,2-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 302.0055 Da
Monoisotopic Mass: 4.3
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]+	303.012776	159.2
[M+Na]+	324.994718	172.7
[M-H]-	300.998224	167.5
[M+NH4]+	320.039323	178.4
[M+K]+	340.968658	160.8
[M+H-H2O]+	285.002760	157.8
[M+HCOO]-	347.003701	180.8
[M+CH3COO]-	361.019351	174.1
[M+Na-2H]-	322.980166	167.8
[M]+	302.00495142	181.0
[M]-	302.00604858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe