CID 51060646

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

Structural Information

Molecular Formula
C24H19ClFN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H19ClFN3O5/c1-33-21-12-15(2-11-20(21)34-24(32)17-3-7-18(25)8-4-17)13-28-29-22(30)14-27-23(31)16-5-9-19(26)10-6-16/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
InChIKey
VHGMBSZSNSLEJC-XODNFHPESA-N
Compound name
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.09973 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.10701 210.9
[M+Na]+ 506.08895 222.2
[M+NH4]+ 501.13355 214.8
[M+K]+ 522.06289 215.4
[M-H]- 482.09245 215.2
[M+Na-2H]- 504.07440 218.3
[M]+ 483.09918 213.6
[M]- 483.10028 213.6
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.