CID 3006848

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

Structural Information

Molecular Formula
C18H25BrN2
SMILES
CCCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C18H25BrN2/c1-2-3-4-5-6-7-17(14-21-13-12-20-15-21)16-8-10-18(19)11-9-16/h8-13,15,17H,2-7,14H2,1H3
InChIKey
ONIVXYOSDATVMT-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)nonyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.12012 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12740 179.8
[M+Na]+ 371.10934 188.5
[M-H]- 347.11284 185.4
[M+NH4]+ 366.15394 196.0
[M+K]+ 387.08328 175.8
[M+H-H2O]+ 331.11738 177.1
[M+HCOO]- 393.11832 197.8
[M+CH3COO]- 407.13397 209.7
[M+Na-2H]- 369.09479 182.1
[M]+ 348.11957 200.4
[M]- 348.12067 200.4
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.