CID 9634878

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

Structural Information

Molecular Formula
C21H21Cl2N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21Cl2N5O2S/c1-4-28-20(14-5-8-16(30-3)9-6-14)26-27-21(28)31-12-19(29)25-24-13(2)17-10-7-15(22)11-18(17)23/h5-11H,4,12H2,1-3H3,(H,25,29)/b24-13+
InChIKey
LVHJEBXJYDZXBE-ZMOGYAJESA-N
Compound name
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-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

477.0793 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.086576 210.4
[M+Na]+ 500.068518 219.1
[M-H]- 476.072024 217.8
[M+NH4]+ 495.113123 218.4
[M+K]+ 516.042458 211.7
[M+H-H2O]+ 460.076560 200.6
[M+HCOO]- 522.077501 218.1
[M+CH3COO]- 536.093151 238.1
[M+Na-2H]- 498.053966 207.2
[M]+ 477.07875142 219.6
[M]- 477.07984858 219.6
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.