CID 3007602

107659-25-6

Structural Information

Molecular Formula
C18H13Cl3N2O2
SMILES
C1=CC(=CC=C1C(=O)C(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O)Cl
InChI
InChI=1S/C18H13Cl3N2O2/c19-13-3-1-12(2-4-13)17(24)18(25,10-23-8-7-22-11-23)15-6-5-14(20)9-16(15)21/h1-9,11,25H,10H2
InChIKey
JEJKUJCMWOGJHW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.00427 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01155 186.4
[M+Na]+ 416.99349 195.7
[M-H]- 392.99699 190.7
[M+NH4]+ 412.03809 197.2
[M+K]+ 432.96743 187.8
[M+H-H2O]+ 377.00153 177.9
[M+HCOO]- 439.00247 189.9
[M+CH3COO]- 453.01812 195.2
[M+Na-2H]- 414.97894 186.7
[M]+ 394.00372 190.0
[M]- 394.00482 190.0
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.