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]+ 569.03664 214.1
[M+Na]+ 591.01858 213.6
[M-H]- 567.02208 215.3
[M+NH4]+ 586.06318 217.8
[M+K]+ 606.99252 211.0
[M+H-H2O]+ 551.02662 199.7
[M+HCOO]- 613.02756 218.8
[M+CH3COO]- 627.04321 217.1
[M+Na-2H]- 589.00403 199.9
[M]+ 568.02881 210.9
[M]- 568.02991 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