CID 9679059

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

Structural Information

Molecular Formula
C26H21FN8O3
SMILES
C/C(=N\NC(=O)C1=C(N=NN1C2=NON=C2N)C3=CC=CC=C3)/C4=CC=C(C=C4)OCC5=CC=CC=C5F
InChI
InChI=1S/C26H21FN8O3/c1-16(17-11-13-20(14-12-17)37-15-19-9-5-6-10-21(19)27)29-31-26(36)23-22(18-7-3-2-4-8-18)30-34-35(23)25-24(28)32-38-33-25/h2-14H,15H2,1H3,(H2,28,32)(H,31,36)/b29-16+
InChIKey
BLXAZLBIDKQSJC-MUFRIFMGSA-N
Compound name
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]-5-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.17206 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.17934 216.7
[M+Na]+ 535.16128 229.8
[M+NH4]+ 530.20588 219.2
[M+K]+ 551.13522 228.3
[M-H]- 511.16478 224.0
[M+Na-2H]- 533.14673 226.8
[M]+ 512.17151 220.2
[M]- 512.17261 220.2
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.