CID 3006845

1h-imidazole, 1-[2-(4-bromophenyl)hexyl]-

Structural Information

Molecular Formula
C15H19BrN2
SMILES
CCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H19BrN2/c1-2-3-4-14(11-18-10-9-17-12-18)13-5-7-15(16)8-6-13/h5-10,12,14H,2-4,11H2,1H3
InChIKey
MZHGNGQGLMWHGJ-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

patents stripe