CID 9676478

1-(4-amino-1,2,5-oxadiazol-3-yl)-n'-((e)-{4-[(2,4-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=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H20Cl2N8O4/c1-38-21-11-15(7-10-20(21)39-14-17-8-9-18(27)12-19(17)28)13-30-32-26(37)23-22(16-5-3-2-4-6-16)31-35-36(23)25-24(29)33-40-34-25/h2-13H,14H2,1H3,(H2,29,33)(H,32,37)/b30-13+
InChIKey
MYIJKAYHTVJCGO-VVEOGCPPSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2,4-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 231.0
[M+Na]+ 601.08767 240.1
[M-H]- 577.09117 243.3
[M+NH4]+ 596.13227 230.5
[M+K]+ 617.06161 234.0
[M+H-H2O]+ 561.09571 216.8
[M+HCOO]- 623.09665 243.7
[M+CH3COO]- 637.11230 237.8
[M+Na-2H]- 599.07312 229.8
[M]+ 578.09790 240.7
[M]- 578.09900 240.7
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.