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 215.0
[M+Na]+ 535.16128 222.0
[M-H]- 511.16478 227.0
[M+NH4]+ 530.20588 215.3
[M+K]+ 551.13522 216.3
[M+H-H2O]+ 495.16932 200.5
[M+HCOO]- 557.17026 235.7
[M+CH3COO]- 571.18591 222.4
[M+Na-2H]- 533.14673 215.5
[M]+ 512.17151 217.9
[M]- 512.17261 217.9
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.