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 212.4
[M+Na]+ 506.08895 217.8
[M-H]- 482.09245 221.9
[M+NH4]+ 501.13355 219.8
[M+K]+ 522.06289 213.2
[M+H-H2O]+ 466.09699 201.0
[M+HCOO]- 528.09793 232.3
[M+CH3COO]- 542.11358 243.9
[M+Na-2H]- 504.07440 212.5
[M]+ 483.09918 217.4
[M]- 483.10028 217.4
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.