CID 457231

1-[2-(4-chlorophenyl)-1-(4-methoxyphenyl)butyl]imidazole

Structural Information

Molecular Formula
C20H21ClN2O
SMILES
CCC(C1=CC=C(C=C1)Cl)C(C2=CC=C(C=C2)OC)N3C=CN=C3
InChI
InChI=1S/C20H21ClN2O/c1-3-19(15-4-8-17(21)9-5-15)20(23-13-12-22-14-23)16-6-10-18(24-2)11-7-16/h4-14,19-20H,3H2,1-2H3
InChIKey
FABWWTXPWFAYTC-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1-(4-methoxyphenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13425 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14153 181.1
[M+Na]+ 363.12347 188.2
[M-H]- 339.12697 187.8
[M+NH4]+ 358.16807 194.0
[M+K]+ 379.09741 181.9
[M+H-H2O]+ 323.13151 171.0
[M+HCOO]- 385.13245 196.4
[M+CH3COO]- 399.14810 191.3
[M+Na-2H]- 361.10892 181.3
[M]+ 340.13370 184.5
[M]- 340.13480 184.5
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.