CID 6883801

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

Structural Information

Molecular Formula
C20H20ClN5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20ClN5O2S/c1-3-26-19(15-6-10-17(28-2)11-7-15)24-25-20(26)29-13-18(27)23-22-12-14-4-8-16(21)9-5-14/h4-12H,3,13H2,1-2H3,(H,23,27)/b22-12+
InChIKey
KVTPZFOTGHFLGE-WSDLNYQXSA-N
Compound name
N-[(E)-(4-chlorophenyl)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

429.10263 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10991 200.8
[M+Na]+ 452.09185 214.2
[M+NH4]+ 447.13645 206.8
[M+K]+ 468.06579 205.8
[M-H]- 428.09535 205.8
[M+Na-2H]- 450.07730 208.8
[M]+ 429.10208 204.7
[M]- 429.10318 204.7
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.