CID 6880047

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

Structural Information

Molecular Formula
C23H27N5O4S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OCC)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H27N5O4S/c1-5-28-22(17-8-10-18(30-3)11-9-17)26-27-23(28)33-15-21(29)25-24-14-16-7-12-19(32-6-2)20(13-16)31-4/h7-14H,5-6,15H2,1-4H3,(H,25,29)/b24-14+
InChIKey
GVHBITBPHGFZAI-ZVHZXABRSA-N
Compound name
N-[(E)-(4-ethoxy-3-methoxyphenyl)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

469.17838 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18566 213.8
[M+Na]+ 492.16760 225.1
[M+NH4]+ 487.21220 217.9
[M+K]+ 508.14154 218.3
[M-H]- 468.17110 217.8
[M+Na-2H]- 490.15305 220.1
[M]+ 469.17783 216.7
[M]- 469.17893 216.7
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.