CID 6475381

(5e)-5-[2-(4-chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-4h-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C18H15Cl3N4S
SMILES
CC\1=NNC(=N/C1=C/C(C2=C(C=C(C=C2)Cl)Cl)SC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C18H15Cl3N4S/c1-10-16(23-18(22)25-24-10)9-17(14-7-4-12(20)8-15(14)21)26-13-5-2-11(19)3-6-13/h2-9,17H,1H3,(H3,22,23,25)/b16-9+
InChIKey
PPBGFNXOTZJJBY-CXUHLZMHSA-N
Compound name
(5E)-5-[2-(4-chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.0083 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.01558 188.6
[M+Na]+ 446.99752 197.7
[M-H]- 423.00102 190.8
[M+NH4]+ 442.04212 195.9
[M+K]+ 462.97146 187.7
[M+H-H2O]+ 407.00556 180.3
[M+HCOO]- 469.00650 185.7
[M+CH3COO]- 483.02215 195.6
[M+Na-2H]- 444.98297 186.2
[M]+ 424.00775 189.4
[M]- 424.00885 189.4
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.