CID 3007594

107659-17-6

Structural Information

Molecular Formula
C18H14Cl2N2O2
SMILES
C1=CC(=CC=C1C(=O)C(CN2C=CN=C2)(C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C18H14Cl2N2O2/c19-15-5-1-13(2-6-15)17(23)18(24,11-22-10-9-21-12-22)14-3-7-16(20)8-4-14/h1-10,12,24H,11H2
InChIKey
XWKBKNRJOPBVBD-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-2-hydroxy-3-imidazol-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.04324 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05052 180.9
[M+Na]+ 383.03246 189.5
[M-H]- 359.03596 186.2
[M+NH4]+ 378.07706 192.7
[M+K]+ 399.00640 182.0
[M+H-H2O]+ 343.04050 172.1
[M+HCOO]- 405.04144 189.9
[M+CH3COO]- 419.05709 190.6
[M+Na-2H]- 381.01791 183.0
[M]+ 360.04269 183.9
[M]- 360.04379 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.