CID 135430662

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

Structural Information

Molecular Formula
C16H9Cl4N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)NC(=NC3=C(C=C(C=C3)Cl)Cl)N2
InChI
InChI=1S/C16H9Cl4N3O/c17-9-2-1-8(11(19)6-9)5-14-15(24)23-16(22-14)21-13-4-3-10(18)7-12(13)20/h1-7H,(H2,21,22,23,24)/b14-5-
InChIKey
PMQQNNSUZZISIZ-RZNTYIFUSA-N
Compound name
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

398.94998 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.95726 190.6
[M+Na]+ 421.93920 200.4
[M-H]- 397.94270 192.7
[M+NH4]+ 416.98380 201.1
[M+K]+ 437.91314 190.9
[M+H-H2O]+ 381.94724 182.7
[M+HCOO]- 443.94818 189.8
[M+CH3COO]- 457.96383 197.8
[M+Na-2H]- 419.92465 186.6
[M]+ 398.94943 188.5
[M]- 398.95053 188.5
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.