CID 6863128

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

Structural Information

Molecular Formula
C27H25BrFN5OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=C(C=CC(=C4)Br)F
InChI
InChI=1S/C27H25BrFN5OS/c1-27(2,3)20-11-9-18(10-12-20)25-32-33-26(34(25)22-7-5-4-6-8-22)36-17-24(35)31-30-16-19-15-21(28)13-14-23(19)29/h4-16H,17H2,1-3H3,(H,31,35)/b30-16+
InChIKey
FMWSJUYNULINED-OKCVXOCRSA-N
Compound name
N-[(E)-(5-bromo-2-fluorophenyl)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

565.0947 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.10198 219.9
[M+Na]+ 588.08392 223.7
[M+NH4]+ 583.12852 221.8
[M+K]+ 604.05786 221.5
[M-H]- 564.08742 223.7
[M+Na-2H]- 586.06937 225.6
[M]+ 565.09415 220.8
[M]- 565.09525 220.8
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.