CID 9652349

2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(4-ethoxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C23H24BrN5O2S
SMILES
CCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2CC(=C)C)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H24BrN5O2S/c1-4-31-20-11-5-17(6-12-20)13-25-26-21(30)15-32-23-28-27-22(29(23)14-16(2)3)18-7-9-19(24)10-8-18/h5-13H,2,4,14-15H2,1,3H3,(H,26,30)/b25-13+
InChIKey
SEZWJQZCSWXNCC-DHRITJCHSA-N
Compound name
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

513.08344 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.09072 204.8
[M+Na]+ 536.07266 206.9
[M+NH4]+ 531.11726 206.3
[M+K]+ 552.04660 205.9
[M-H]- 512.07616 207.2
[M+Na-2H]- 534.05811 208.4
[M]+ 513.08289 204.8
[M]- 513.08399 204.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.