CID 135401121

5-(2,4-dichlorobenzylidene)-2-(4-chloroanilino)-imidazoline-4-one

Structural Information

Molecular Formula
C16H10Cl3N3O
SMILES
C1=CC(=CC=C1NC2=N/C(=C\C3=C(C=C(C=C3)Cl)Cl)/C(=O)N2)Cl
InChI
InChI=1S/C16H10Cl3N3O/c17-10-3-5-12(6-4-10)20-16-21-14(15(23)22-16)7-9-1-2-11(18)8-13(9)19/h1-8H,(H2,20,21,22,23)/b14-7-
InChIKey
QARVXOYWRGVCKJ-AUWJEWJLSA-N
Compound name
(4Z)-2-(4-chloroanilino)-4-[(2,4-dichlorophenyl)methylidene]-1H-imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.98895 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.99623 182.4
[M+Na]+ 387.97817 192.9
[M-H]- 363.98167 186.5
[M+NH4]+ 383.02277 194.5
[M+K]+ 403.95211 183.4
[M+H-H2O]+ 347.98621 174.1
[M+HCOO]- 409.98715 188.5
[M+CH3COO]- 424.00280 191.6
[M+Na-2H]- 385.96362 181.6
[M]+ 364.98840 182.8
[M]- 364.98950 182.8
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.