CID 3006854

1-[2-(2,4-dichlorophenyl)heptyl]imidazole

Structural Information

Molecular Formula
C16H20Cl2N2
SMILES
CCCCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N2/c1-2-3-4-5-13(11-20-9-8-19-12-20)15-7-6-14(17)10-16(15)18/h6-10,12-13H,2-5,11H2,1H3
InChIKey
QTNKNJMXJBWXCT-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)heptyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

310.10034 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10762 172.4
[M+Na]+ 333.08956 180.7
[M-H]- 309.09306 175.0
[M+NH4]+ 328.13416 187.6
[M+K]+ 349.06350 173.5
[M+H-H2O]+ 293.09760 163.9
[M+HCOO]- 355.09854 183.2
[M+CH3COO]- 369.11419 204.3
[M+Na-2H]- 331.07501 172.6
[M]+ 310.09979 177.0
[M]- 310.10089 177.0
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