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

52
Patents

302.0055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01278 159.2
[M+Na]+ 324.99472 172.7
[M-H]- 300.99822 167.5
[M+NH4]+ 320.03932 178.4
[M+K]+ 340.96866 160.8
[M+H-H2O]+ 285.00276 157.8
[M+HCOO]- 347.00370 180.8
[M+CH3COO]- 361.01935 174.1
[M+Na-2H]- 322.98017 167.8
[M]+ 302.00495 181.0
[M]- 302.00605 181.0
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

patents stripe