CID 51060693

4-(2-(((4-fluorobenzoyl)amino)acetyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C24H20FN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H20FN3O5/c1-32-21-13-16(7-12-20(21)33-24(31)18-5-3-2-4-6-18)14-27-28-22(29)15-26-23(30)17-8-10-19(25)11-9-17/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
RVDYUVLBFZYKGL-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1387 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14598 206.1
[M+Na]+ 472.12792 216.2
[M+NH4]+ 467.17252 209.7
[M+K]+ 488.10186 210.1
[M-H]- 448.13142 210.3
[M+Na-2H]- 470.11337 213.6
[M]+ 449.13815 208.2
[M]- 449.13925 208.2
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.