CID 3006841

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

Structural Information

Molecular Formula
C16H21ClN2
SMILES
CCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H21ClN2/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
TYJMNKVTNGQXJX-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)heptyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.1393 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14658 166.4
[M+Na]+ 299.12852 173.4
[M-H]- 275.13202 169.4
[M+NH4]+ 294.17312 182.3
[M+K]+ 315.10246 167.6
[M+H-H2O]+ 259.13656 157.4
[M+HCOO]- 321.13750 182.4
[M+CH3COO]- 335.15315 198.9
[M+Na-2H]- 297.11397 168.2
[M]+ 276.13875 169.6
[M]- 276.13985 169.6
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.