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]+ 283.09966 164.5
[M+Na]+ 305.08160 172.0
[M-H]- 281.08510 169.7
[M+NH4]+ 300.12620 178.8
[M+K]+ 321.05554 164.3
[M+H-H2O]+ 265.08964 155.1
[M+HCOO]- 327.09058 180.0
[M+CH3COO]- 341.10623 175.2
[M+Na-2H]- 303.06705 167.7
[M]+ 282.09183 163.8
[M]- 282.09293 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.