CID 6886066

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

Structural Information

Molecular Formula
C22H25N5O4S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H25N5O4S/c1-5-27-21(16-7-9-17(29-2)10-8-16)25-26-22(27)32-14-20(28)24-23-13-15-6-11-18(30-3)19(12-15)31-4/h6-13H,5,14H2,1-4H3,(H,24,28)/b23-13+
InChIKey
WNHUZQOVDMYFTA-YDZHTSKRSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)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

455.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.17000 208.7
[M+Na]+ 478.15194 215.9
[M-H]- 454.15544 216.6
[M+NH4]+ 473.19654 215.9
[M+K]+ 494.12588 211.0
[M+H-H2O]+ 438.15998 197.4
[M+HCOO]- 500.16092 227.2
[M+CH3COO]- 514.17657 237.5
[M+Na-2H]- 476.13739 207.6
[M]+ 455.16217 218.1
[M]- 455.16327 218.1
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.