CID 3006844

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

Structural Information

Molecular Formula
C19H27ClN2
SMILES
CCCCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H27ClN2/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17/h9-14,16,18H,2-8,15H2,1H3
InChIKey
MHBYGMFGUGDMFR-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)decyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.18628 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19356 180.1
[M+Na]+ 341.17550 185.8
[M-H]- 317.17900 182.6
[M+NH4]+ 336.22010 194.2
[M+K]+ 357.14944 179.2
[M+H-H2O]+ 301.18354 170.5
[M+HCOO]- 363.18448 195.1
[M+CH3COO]- 377.20013 207.8
[M+Na-2H]- 339.16095 180.2
[M]+ 318.18573 184.3
[M]- 318.18683 184.3
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.