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]+ 271.09966 161.8
[M+Na]+ 293.08160 170.4
[M-H]- 269.08510 168.4
[M+NH4]+ 288.12620 177.6
[M+K]+ 309.05554 163.6
[M+H-H2O]+ 253.08964 152.2
[M+HCOO]- 315.09058 178.7
[M+CH3COO]- 329.10623 173.5
[M+Na-2H]- 291.06705 165.2
[M]+ 270.09183 162.1
[M]- 270.09293 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.