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 218.2
[M+Na]+ 553.17068 225.2
[M-H]- 529.17418 231.6
[M+NH4]+ 548.21528 218.3
[M+K]+ 569.14462 218.6
[M+H-H2O]+ 513.17872 204.0
[M+HCOO]- 575.17966 239.1
[M+CH3COO]- 589.19531 225.3
[M+Na-2H]- 551.15613 221.3
[M]+ 530.18091 221.8
[M]- 530.18201 221.8
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.