CID 9575378

1-(4-chlorophenyl)-3-[2-(2,6-dichlorophenyl)ethanimidoyl]thiourea

Structural Information

Molecular Formula
C15H12Cl3N3S
SMILES
C1=CC(=C(C(=C1)Cl)C/C(=N/C(=S)NC2=CC=C(C=C2)Cl)/N)Cl
InChI
InChI=1S/C15H12Cl3N3S/c16-9-4-6-10(7-5-9)20-15(22)21-14(19)8-11-12(17)2-1-3-13(11)18/h1-7H,8H2,(H3,19,20,21,22)
InChIKey
LDRQFOQBRVRUAX-UHFFFAOYSA-N
Compound name
(1Z)-1-[1-amino-2-(2,6-dichlorophenyl)ethylidene]-3-(4-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.98175 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98903 181.3
[M+Na]+ 393.97097 189.2
[M-H]- 369.97447 187.2
[M+NH4]+ 389.01557 195.3
[M+K]+ 409.94491 181.0
[M+H-H2O]+ 353.97901 176.3
[M+HCOO]- 415.97995 187.3
[M+CH3COO]- 429.99560 219.2
[M+Na-2H]- 391.95642 180.2
[M]+ 370.98120 183.9
[M]- 370.98230 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.