CID 16755469

Schembl4215280

Structural Information

Molecular Formula
C22H22Cl3N3O
SMILES
C1CCC(CC1)NC(=O)C2CN(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H22Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-12,16,20H,1-5,13H2,(H,26,29)
InChIKey
AUDPPCIKFUVJJY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-4,5-dihydroimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

449.08286 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.09014 206.3
[M+Na]+ 472.07208 212.3
[M-H]- 448.07558 213.1
[M+NH4]+ 467.11668 214.9
[M+K]+ 488.04602 203.8
[M+H-H2O]+ 432.08012 195.4
[M+HCOO]- 494.08106 207.9
[M+CH3COO]- 508.09671 212.7
[M+Na-2H]- 470.05753 201.2
[M]+ 449.08231 204.6
[M]- 449.08341 204.6
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

patents stripe