CID 9651740

1-(4-amino-1,2,5-oxadiazol-3-yl)-n'-((e)-{4-[(4-bromobenzyl)oxy]phenyl}methylidene)-4-phenyl-1h-1,2,3-triazole-5-carbohydrazide

Structural Information

Molecular Formula
C25H19BrN8O3
SMILES
C1=CC=C(C=C1)C2=C(N(N=N2)C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)OCC5=CC=C(C=C5)Br
InChI
InChI=1S/C25H19BrN8O3/c26-19-10-6-17(7-11-19)15-36-20-12-8-16(9-13-20)14-28-30-25(35)22-21(18-4-2-1-3-5-18)29-33-34(22)24-23(27)31-37-32-24/h1-14H,15H2,(H2,27,31)(H,30,35)/b28-14+
InChIKey
VXOMZKQFIMCEQK-CCVNUDIWSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.07635 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.08363 227.8
[M+Na]+ 581.06557 232.7
[M+NH4]+ 576.11017 228.1
[M+K]+ 597.03951 234.8
[M-H]- 557.06907 234.1
[M+Na-2H]- 579.05102 233.9
[M]+ 558.07580 229.1
[M]- 558.07690 229.1
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.