CID 487072

1-[2-(4-chlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole

Structural Information

Molecular Formula
C24H21ClN2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)COC(CN3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H21ClN2O/c25-23-12-10-22(11-13-23)24(16-27-15-14-26-18-27)28-17-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-15,18,24H,16-17H2
InChIKey
APTABCHLZSJQSZ-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.13425 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14153 194.0
[M+Na]+ 411.12347 200.7
[M-H]- 387.12697 203.2
[M+NH4]+ 406.16807 204.1
[M+K]+ 427.09741 192.5
[M+H-H2O]+ 371.13151 182.0
[M+HCOO]- 433.13245 209.8
[M+CH3COO]- 447.14810 203.1
[M+Na-2H]- 409.10892 195.1
[M]+ 388.13370 196.5
[M]- 388.13480 196.5
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.