CID 9605834

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

Structural Information

Molecular Formula
C26H21ClN8O3
SMILES
C/C(=N\NC(=O)C1=C(N=NN1C2=NON=C2N)C3=CC=CC=C3)/C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H21ClN8O3/c1-16(18-9-13-21(14-10-18)37-15-17-7-11-20(27)12-8-17)29-31-26(36)23-22(19-5-3-2-4-6-19)30-34-35(23)25-24(28)32-38-33-25/h2-14H,15H2,1H3,(H2,28,32)(H,31,36)/b29-16+
InChIKey
OSAYFDUCLVYYCR-MUFRIFMGSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1425 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.14978 221.2
[M+Na]+ 551.13172 236.3
[M+NH4]+ 546.17632 224.8
[M+K]+ 567.10566 233.6
[M-H]- 527.13522 230.2
[M+Na-2H]- 549.11717 232.1
[M]+ 528.14195 226.0
[M]- 528.14305 226.0
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.