CID 9651344

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

Structural Information

Molecular Formula
C25H19ClN8O3
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=CC=C5Cl
InChI
InChI=1S/C25H19ClN8O3/c26-20-9-5-4-8-18(20)15-36-19-12-10-16(11-13-19)14-28-30-25(35)22-21(17-6-2-1-3-7-17)29-33-34(22)24-23(27)31-37-32-24/h1-14H,15H2,(H2,27,31)(H,30,35)/b28-14+
InChIKey
BDNMLUQAOCXYEP-CCVNUDIWSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

514.1269 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.13418 218.1
[M+Na]+ 537.11612 233.8
[M+NH4]+ 532.16072 222.0
[M+K]+ 553.09006 230.4
[M-H]- 513.11962 227.2
[M+Na-2H]- 535.10157 229.4
[M]+ 514.12635 223.0
[M]- 514.12745 223.0
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.