CID 3006827

1-[2-(2-bromophenyl)hexyl]imidazole

Structural Information

Molecular Formula
C15H19BrN2
SMILES
CCCCC(CN1C=CN=C1)C2=CC=CC=C2Br
InChI
InChI=1S/C15H19BrN2/c1-2-3-6-13(11-18-10-9-17-12-18)14-7-4-5-8-15(14)16/h4-5,7-10,12-13H,2-3,6,11H2,1H3
InChIKey
DOHGQAVXRJBPMU-UHFFFAOYSA-N
Compound name
1-[2-(2-bromophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.07315 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08043 166.2
[M+Na]+ 329.06237 176.2
[M-H]- 305.06587 172.4
[M+NH4]+ 324.10697 184.0
[M+K]+ 345.03631 164.2
[M+H-H2O]+ 289.07041 164.1
[M+HCOO]- 351.07135 185.2
[M+CH3COO]- 365.08700 201.4
[M+Na-2H]- 327.04782 170.2
[M]+ 306.07260 185.8
[M]- 306.07370 185.8
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

No patent data available for this compound.