CID 135499615

5-(2-chlorobenzylidene)-2-(3-chloroanilino)-imidazoline-4-one

Structural Information

Molecular Formula
C16H11Cl2N3O
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=N2)NC3=CC(=CC=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2N3O/c17-11-5-3-6-12(9-11)19-16-20-14(15(22)21-16)8-10-4-1-2-7-13(10)18/h1-9H,(H2,19,20,21,22)/b14-8-
InChIKey
SRDIVIIJPFOMGL-ZSOIEALJSA-N
Compound name
(4Z)-2-(3-chloroanilino)-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

331.02792 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03520 175.6
[M+Na]+ 354.01714 185.5
[M-H]- 330.02064 180.9
[M+NH4]+ 349.06174 188.8
[M+K]+ 369.99108 176.3
[M+H-H2O]+ 314.02518 166.9
[M+HCOO]- 376.02612 187.4
[M+CH3COO]- 390.04177 185.8
[M+Na-2H]- 352.00259 176.7
[M]+ 331.02737 175.4
[M]- 331.02847 175.4
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.