CID 6886284

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

Structural Information

Molecular Formula
C21H23N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23N5O2S/c1-4-26-20(17-9-11-18(28-3)12-10-17)24-25-21(26)29-14-19(27)23-22-13-16-7-5-15(2)6-8-16/h5-13H,4,14H2,1-3H3,(H,23,27)/b22-13+
InChIKey
WNYZGYCNXROZMX-LPYMAVHISA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15726 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16454 198.4
[M+Na]+ 432.14648 210.8
[M+NH4]+ 427.19108 204.0
[M+K]+ 448.12042 203.1
[M-H]- 408.14998 203.4
[M+Na-2H]- 430.13193 206.2
[M]+ 409.15671 201.8
[M]- 409.15781 201.8
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.