CID 3042994

1h-imidazole, 4,5-dihydro-1-((4-chlorophenyl)methyl)-2-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C16H15ClN2
SMILES
C1CN(C(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKey
COGQMVFTYVICRE-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.09238 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.099656 161.8
[M+Na]+ 293.081598 170.4
[M-H]- 269.085104 168.4
[M+NH4]+ 288.126203 177.6
[M+K]+ 309.055538 163.6
[M+H-H2O]+ 253.089640 152.2
[M+HCOO]- 315.090581 178.7
[M+CH3COO]- 329.106231 173.5
[M+Na-2H]- 291.067046 165.2
[M]+ 270.09183142 162.1
[M]- 270.09292858 162.1
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.