CID 9667975

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

Structural Information

Molecular Formula
C29H22N8O3
SMILES
C1=CC=C(C=C1)C2=C(N(N=N2)C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)OCC5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C29H22N8O3/c30-27-28(35-40-34-27)37-26(25(32-36-37)21-10-2-1-3-11-21)29(38)33-31-17-19-8-6-14-23(16-19)39-18-22-13-7-12-20-9-4-5-15-24(20)22/h1-17H,18H2,(H2,30,34)(H,33,38)/b31-17+
InChIKey
WSKLUNAVWYLXTI-KBVAKVRCSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.18146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.18874 223.9
[M+Na]+ 553.17068 239.8
[M+NH4]+ 548.21528 228.1
[M+K]+ 569.14462 236.1
[M-H]- 529.17418 234.0
[M+Na-2H]- 551.15613 235.4
[M]+ 530.18091 229.0
[M]- 530.18201 229.0
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.