CID 3006883

Chembl3305068

Structural Information

Molecular Formula
C19H18Cl2N2
SMILES
CC1=CC=CC=C1C(CC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3
InChI
InChI=1S/C19H18Cl2N2/c1-14-4-2-3-5-18(14)16(12-23-9-8-22-13-23)10-15-6-7-17(20)11-19(15)21/h2-9,11,13,16H,10,12H2,1H3
InChIKey
LTDDIFVIJSDGRA-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]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 189.5
[M-H]- 343.07744 186.3
[M+NH4]+ 362.11854 193.8
[M+K]+ 383.04788 181.2
[M+H-H2O]+ 327.08198 170.6
[M+HCOO]- 389.08292 191.3
[M+CH3COO]- 403.09857 190.6
[M+Na-2H]- 365.05939 180.4
[M]+ 344.08417 184.1
[M]- 344.08527 184.1
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.