CID 43649871

1-[4-(4-bromophenyl)-1h-imidazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H12BrN3
SMILES
CC(C1=NC=C(N1)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H12BrN3/c1-7(13)11-14-6-10(15-11)8-2-4-9(12)5-3-8/h2-7H,13H2,1H3,(H,14,15)
InChIKey
BBVLMJNZGIDONQ-UHFFFAOYSA-N
Compound name
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

265.02145 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02873 152.5
[M+Na]+ 288.01067 163.6
[M-H]- 264.01417 157.9
[M+NH4]+ 283.05527 170.8
[M+K]+ 303.98461 150.9
[M+H-H2O]+ 248.01871 150.8
[M+HCOO]- 310.01965 171.7
[M+CH3COO]- 324.03530 166.0
[M+Na-2H]- 285.99612 157.0
[M]+ 265.02090 167.8
[M]- 265.02200 167.8
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