CID 60658026

1864074-84-9

Structural Information

Molecular Formula
C12H14BrN3
SMILES
C1=CC=C(C(=C1)CNCCN2C=CN=C2)Br
InChI
InChI=1S/C12H14BrN3/c13-12-4-2-1-3-11(12)9-14-5-7-16-8-6-15-10-16/h1-4,6,8,10,14H,5,7,9H2
InChIKey
MJDXPHYFNFNTNG-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-2-imidazol-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0371 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04438 161.1
[M+Na]+ 302.02632 164.3
[M+NH4]+ 297.07092 165.5
[M+K]+ 318.00026 164.0
[M-H]- 278.02982 162.8
[M+Na-2H]- 300.01177 165.6
[M]+ 279.03655 160.7
[M]- 279.03765 160.7
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.