CID 6886472

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

Structural Information

Molecular Formula
C23H17BrClN5OS
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H17BrClN5OS/c24-18-11-9-17(10-12-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-5-4-6-19(25)13-16/h1-14H,15H2,(H,27,31)/b26-14+
InChIKey
MUHZLLMNDYAVEN-VULFUBBASA-N
Compound name
2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.00256 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.00984 205.1
[M+Na]+ 547.99178 211.4
[M+NH4]+ 543.03638 208.7
[M+K]+ 563.96572 207.8
[M-H]- 523.99528 210.8
[M+Na-2H]- 545.97723 212.7
[M]+ 525.00201 207.2
[M]- 525.00311 207.2
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.