CID 3006902

1h-imidazole, 1-[2-(2,4-dichlorophenyl)-4-phenylbutyl]-

Structural Information

Molecular Formula
C19H18Cl2N2
SMILES
C1=CC=C(C=C1)CCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2/c20-17-8-9-18(19(21)12-17)16(13-23-11-10-22-14-23)7-6-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2
InChIKey
KWVXISRJXXQACH-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-4-phenylbutyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.08472 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09200 180.3
[M+Na]+ 367.07394 188.5
[M-H]- 343.07744 185.8
[M+NH4]+ 362.11854 193.4
[M+K]+ 383.04788 180.1
[M+H-H2O]+ 327.08198 170.2
[M+HCOO]- 389.08292 191.2
[M+CH3COO]- 403.09857 190.1
[M+Na-2H]- 365.05939 181.0
[M]+ 344.08417 183.6
[M]- 344.08527 183.6
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.