CID 135549885

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

Structural Information

Molecular Formula
C20H21N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H21N5O3S/c1-3-25-19(14-8-10-16(28-2)11-9-14)23-24-20(25)29-13-18(27)22-21-12-15-6-4-5-7-17(15)26/h4-12,26H,3,13H2,1-2H3,(H,22,27)/b21-12+
InChIKey
SVSQJHNTDSQWGA-CIAFOILYSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14378 197.2
[M+Na]+ 434.12572 208.8
[M+NH4]+ 429.17032 202.0
[M+K]+ 450.09966 202.3
[M-H]- 410.12922 201.3
[M+Na-2H]- 432.11117 204.3
[M]+ 411.13595 200.2
[M]- 411.13705 200.2
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.