CID 45055234

2-(2-(((4-chlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2N3O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17Cl2N3O4/c24-18-9-5-15(6-10-18)22(30)26-14-21(29)28-27-13-17-3-1-2-4-20(17)32-23(31)16-7-11-19(25)12-8-16/h1-13H,14H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
FRSDDLQIWUOCNT-UVHMKAGCSA-N
Compound name
[2-[(E)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.0596 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06688 208.3
[M+Na]+ 492.04882 221.6
[M+NH4]+ 487.09342 214.0
[M+K]+ 508.02276 213.3
[M-H]- 468.05232 214.5
[M+Na-2H]- 490.03427 217.2
[M]+ 469.05905 212.3
[M]- 469.06015 212.3
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.