CID 6885836

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

Structural Information

Molecular Formula
C23H27N5O3S
SMILES
CCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H27N5O3S/c1-4-14-31-20-10-6-17(7-11-20)15-24-25-21(29)16-32-23-27-26-22(28(23)5-2)18-8-12-19(30-3)13-9-18/h6-13,15H,4-5,14,16H2,1-3H3,(H,25,29)/b24-15+
InChIKey
YGXIEZWMEVUCFK-BUVRLJJBSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.18347 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.19075 209.4
[M+Na]+ 476.17269 215.7
[M-H]- 452.17619 216.8
[M+NH4]+ 471.21729 216.6
[M+K]+ 492.14663 209.8
[M+H-H2O]+ 436.18073 197.8
[M+HCOO]- 498.18167 227.5
[M+CH3COO]- 512.19732 237.0
[M+Na-2H]- 474.15814 208.4
[M]+ 453.18292 217.4
[M]- 453.18402 217.4
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.