CID 3006885

Chembl3304512

Structural Information

Molecular Formula
C19H19ClN2
SMILES
CC1=CC=CC=C1C(CC2=CC=C(C=C2)Cl)CN3C=CN=C3
InChI
InChI=1S/C19H19ClN2/c1-15-4-2-3-5-19(15)17(13-22-11-10-21-14-22)12-16-6-8-18(20)9-7-16/h2-11,14,17H,12-13H2,1H3
InChIKey
VIPBWTDKVSVOJX-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-2-(2-methylphenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.1237 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13098 173.9
[M+Na]+ 333.11292 181.9
[M-H]- 309.11642 180.5
[M+NH4]+ 328.15752 188.1
[M+K]+ 349.08686 174.6
[M+H-H2O]+ 293.12096 163.9
[M+HCOO]- 355.12190 190.2
[M+CH3COO]- 369.13755 184.7
[M+Na-2H]- 331.09837 175.6
[M]+ 310.12315 176.1
[M]- 310.12425 176.1
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.