CID 3006847

1-[2-(4-bromophenyl)octyl]imidazole

Structural Information

Molecular Formula
C17H23BrN2
SMILES
CCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H23BrN2/c1-2-3-4-5-6-16(13-20-12-11-19-14-20)15-7-9-17(18)10-8-15/h7-12,14,16H,2-6,13H2,1H3
InChIKey
AGFKAHBLYYNKBG-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)octyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.10446 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11174 175.3
[M+Na]+ 357.09368 184.4
[M-H]- 333.09718 181.1
[M+NH4]+ 352.13828 192.0
[M+K]+ 373.06762 172.0
[M+H-H2O]+ 317.10172 172.8
[M+HCOO]- 379.10266 193.6
[M+CH3COO]- 393.11831 206.9
[M+Na-2H]- 355.07913 178.2
[M]+ 334.10391 195.5
[M]- 334.10501 195.5
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

No patent data available for this compound.