CID 3006846

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

Structural Information

Molecular Formula
C16H21BrN2
SMILES
CCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H21BrN2/c1-2-3-4-5-15(12-19-11-10-18-13-19)14-6-8-16(17)9-7-14/h6-11,13,15H,2-5,12H2,1H3
InChIKey
BFYMZWPMEZRXPQ-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)heptyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0888 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09608 170.7
[M+Na]+ 343.07802 180.3
[M-H]- 319.08152 176.8
[M+NH4]+ 338.12262 188.0
[M+K]+ 359.05196 168.1
[M+H-H2O]+ 303.08606 168.4
[M+HCOO]- 365.08700 189.4
[M+CH3COO]- 379.10265 204.2
[M+Na-2H]- 341.06347 174.2
[M]+ 320.08825 190.7
[M]- 320.08935 190.7
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.