CID 466032

1-(4-chlorophenyl)-2-imidazol-1-yl-n-[(4-phenylphenyl)methyl]ethanamine

Structural Information

Molecular Formula
C24H22ClN3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(CN3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H22ClN3/c25-23-12-10-22(11-13-23)24(17-28-15-14-26-18-28)27-16-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-15,18,24,27H,16-17H2
InChIKey
ZKSWQNBYXZMQBT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-imidazol-1-yl-N-[(4-phenylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.15024 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15752 193.7
[M+Na]+ 410.13946 199.6
[M-H]- 386.14296 202.8
[M+NH4]+ 405.18406 203.5
[M+K]+ 426.11340 190.7
[M+H-H2O]+ 370.14750 181.6
[M+HCOO]- 432.14844 210.4
[M+CH3COO]- 446.16409 202.5
[M+Na-2H]- 408.12491 195.6
[M]+ 387.14969 194.4
[M]- 387.15079 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.