CID 9672798

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

Structural Information

Molecular Formula
C26H22N8O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H22N8O4/c1-36-21-14-18(12-13-20(21)37-16-17-8-4-2-5-9-17)15-28-30-26(35)23-22(19-10-6-3-7-11-19)29-33-34(23)25-24(27)31-38-32-25/h2-15H,16H2,1H3,(H2,27,31)(H,30,35)/b28-15+
InChIKey
QDOIURBAVJZROR-RWPZCVJISA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.1764 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.18368 214.1
[M+Na]+ 533.16562 220.9
[M-H]- 509.16912 227.2
[M+NH4]+ 528.21022 214.3
[M+K]+ 549.13956 215.9
[M+H-H2O]+ 493.17366 200.1
[M+HCOO]- 555.17460 236.8
[M+CH3COO]- 569.19025 221.9
[M+Na-2H]- 531.15107 216.2
[M]+ 510.17585 219.3
[M]- 510.17695 219.3
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.