CID 11541445

Imidazole derivative 6

Structural Information

Molecular Formula
C23H23Cl2IN4O
SMILES
CC1=C(N=C(N1C2=CC=C(C=C2)I)C3=C(C=C(C=C3)Cl)Cl)NC(=O)NC4CCCCC4
InChI
InChI=1S/C23H23Cl2IN4O/c1-14-21(29-23(31)27-17-5-3-2-4-6-17)28-22(19-12-7-15(24)13-20(19)25)30(14)18-10-8-16(26)9-11-18/h7-13,17H,2-6H2,1H3,(H2,27,29,31)
InChIKey
KINYNFFISOBDBZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)-5-methylimidazol-4-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

568.02936 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.036636 214.1
[M+Na]+ 591.018578 213.6
[M-H]- 567.022084 215.3
[M+NH4]+ 586.063183 217.8
[M+K]+ 606.992518 211.0
[M+H-H2O]+ 551.026620 199.7
[M+HCOO]- 613.027561 218.8
[M+CH3COO]- 627.043211 217.1
[M+Na-2H]- 589.004026 199.9
[M]+ 568.02881142 210.9
[M]- 568.02990858 210.9
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