CID 9651869

1-(4-amino-1,2,5-oxadiazol-3-yl)-n'-((e)-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene)-4-phenyl-1h-1,2,3-triazole-5-carbohydrazide

Structural Information

Molecular Formula
C26H20Cl2N8O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)OCC5=C(C=CC=C5Cl)Cl
InChI
InChI=1S/C26H20Cl2N8O4/c1-38-21-12-15(10-11-20(21)39-14-17-18(27)8-5-9-19(17)28)13-30-32-26(37)23-22(16-6-3-2-4-7-16)31-35-36(23)25-24(29)33-40-34-25/h2-13H,14H2,1H3,(H2,29,33)(H,32,37)/b30-13+
InChIKey
KZZPNWWAKBUYCK-VVEOGCPPSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.09845 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.10573 232.2
[M+Na]+ 601.08767 248.2
[M+NH4]+ 596.13227 235.5
[M+K]+ 617.06161 244.5
[M-H]- 577.09117 240.8
[M+Na-2H]- 599.07312 241.9
[M]+ 578.09790 237.3
[M]- 578.09900 237.3
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.