CID 6887561

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

Structural Information

Molecular Formula
C23H17BrFN5OS
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)F)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H17BrFN5OS/c24-18-10-8-17(9-11-18)22-28-29-23(30(22)20-4-2-1-3-5-20)32-15-21(31)27-26-14-16-6-12-19(25)13-7-16/h1-14H,15H2,(H,27,31)/b26-14+
InChIKey
GYYGYKHROLGYHT-VULFUBBASA-N
Compound name
2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.03214 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.03942 202.2
[M+Na]+ 532.02136 206.7
[M+NH4]+ 527.06596 204.8
[M+K]+ 547.99530 204.2
[M-H]- 508.02486 206.5
[M+Na-2H]- 530.00681 209.0
[M]+ 509.03159 203.2
[M]- 509.03269 203.2
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.