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]+ 412.143776 196.6
[M+Na]+ 434.125718 203.9
[M-H]- 410.129224 203.2
[M+NH4]+ 429.170323 204.8
[M+K]+ 450.099658 197.7
[M+H-H2O]+ 394.133760 186.0
[M+HCOO]- 456.134701 214.2
[M+CH3COO]- 470.150351 226.2
[M+Na-2H]- 432.111166 196.6
[M]+ 411.13595142 201.8
[M]- 411.13704858 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.