CID 456992

1-[(4-chlorophenyl)-(2-naphthyl)methyl]imidazole

Structural Information

Molecular Formula
C20H15ClN2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H15ClN2/c21-19-9-7-16(8-10-19)20(23-12-11-22-14-23)18-6-5-15-3-1-2-4-17(15)13-18/h1-14,20H
InChIKey
ICJDDEIMLGBDMD-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)-naphthalen-2-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09966 174.0
[M+Na]+ 341.08160 184.0
[M-H]- 317.08510 182.0
[M+NH4]+ 336.12620 188.7
[M+K]+ 357.05554 175.7
[M+H-H2O]+ 301.08964 163.8
[M+HCOO]- 363.09058 191.0
[M+CH3COO]- 377.10623 185.4
[M+Na-2H]- 339.06705 178.9
[M]+ 318.09183 176.8
[M]- 318.09293 176.8
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.