CID 6885277

N'-[(e)-(2,4-dichlorophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C20H19Cl2N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19Cl2N5O2S/c1-3-27-19(13-5-8-16(29-2)9-6-13)25-26-20(27)30-12-18(28)24-23-11-14-4-7-15(21)10-17(14)22/h4-11H,3,12H2,1-2H3,(H,24,28)/b23-11+
InChIKey
QWFOKSWVRMMUSC-FOKLQQMPSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.06366 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.07094 207.0
[M+Na]+ 486.05288 216.4
[M-H]- 462.05638 214.3
[M+NH4]+ 481.09748 215.6
[M+K]+ 502.02682 208.6
[M+H-H2O]+ 446.06092 197.0
[M+HCOO]- 508.06186 215.9
[M+CH3COO]- 522.07751 234.5
[M+Na-2H]- 484.03833 205.0
[M]+ 463.06311 216.2
[M]- 463.06421 216.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.