CID 6891648

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

Structural Information

Molecular Formula
C23H16BrCl2N5OS
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C(=CC=C3)Cl)Cl)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H16BrCl2N5OS/c24-17-11-9-15(10-12-17)22-29-30-23(31(22)18-6-2-1-3-7-18)33-14-20(32)28-27-13-16-5-4-8-19(25)21(16)26/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey
NGYZPPIRCHEHHP-UVHMKAGCSA-N
Compound name
2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.9636 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.97088 212.9
[M+Na]+ 581.95282 220.1
[M+NH4]+ 576.99742 216.7
[M+K]+ 597.92676 215.7
[M-H]- 557.95632 218.5
[M+Na-2H]- 579.93827 219.9
[M]+ 558.96305 215.4
[M]- 558.96415 215.4
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.