CID 3076711

4-(2-(2-chlorophenyl)-2-phenylethyl)-1h-imidazole monohydrochloride

Structural Information

Molecular Formula
C17H15ClN2
SMILES
C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H15ClN2/c18-17-9-5-4-8-15(17)16(10-14-11-19-12-20-14)13-6-2-1-3-7-13/h1-9,11-12,16H,10H2,(H,19,20)
InChIKey
RBHKZVUCNGQQHW-UHFFFAOYSA-N
Compound name
5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.09238 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.099656 164.5
[M+Na]+ 305.081598 172.0
[M-H]- 281.085104 169.7
[M+NH4]+ 300.126203 178.8
[M+K]+ 321.055538 164.3
[M+H-H2O]+ 265.089640 155.1
[M+HCOO]- 327.090581 180.0
[M+CH3COO]- 341.106231 175.2
[M+Na-2H]- 303.067046 167.7
[M]+ 282.09183142 163.8
[M]- 282.09292858 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.