CID 2757120

2-(4-bromophenyl)imidazo[1,2-a]pyridine-3-methanamine

Structural Information

Molecular Formula
C14H12BrN3
SMILES
C1=CC2=NC(=C(N2C=C1)CN)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H12BrN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-8H,9,16H2
InChIKey
JJMNJHSETVNICF-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

301.02145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02873 160.3
[M+Na]+ 324.01067 173.8
[M-H]- 300.01417 168.3
[M+NH4]+ 319.05527 179.2
[M+K]+ 339.98461 160.6
[M+H-H2O]+ 284.01871 158.4
[M+HCOO]- 346.01965 182.0
[M+CH3COO]- 360.03530 174.7
[M+Na-2H]- 321.99612 167.7
[M]+ 301.02090 179.5
[M]- 301.02200 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe