CID 6891737

N'-[(e)-(3-bromo-4-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C28H28BrN5O2S
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC(=C(C=C4)OC)Br
InChI
InChI=1S/C28H28BrN5O2S/c1-28(2,3)21-13-11-20(12-14-21)26-32-33-27(34(26)22-8-6-5-7-9-22)37-18-25(35)31-30-17-19-10-15-24(36-4)23(29)16-19/h5-17H,18H2,1-4H3,(H,31,35)/b30-17+
InChIKey
MJYGYQSLIBPSCA-OCSSWDANSA-N
Compound name
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.1147 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.12198 222.1
[M+Na]+ 600.10392 226.2
[M+NH4]+ 595.14852 224.1
[M+K]+ 616.07786 224.4
[M-H]- 576.10742 226.9
[M+Na-2H]- 598.08937 228.2
[M]+ 577.11415 223.4
[M]- 577.11525 223.4
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.