CID 51060531

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

Structural Information

Molecular Formula
C23H17ClFN3O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C23H17ClFN3O4/c24-20-4-2-1-3-19(20)23(31)32-18-11-5-15(6-12-18)13-27-28-21(29)14-26-22(30)16-7-9-17(25)10-8-16/h1-13H,14H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
YIYIHBMBISVNON-UVHMKAGCSA-N
Compound name
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.08917 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.09645 205.4
[M+Na]+ 476.07839 210.6
[M-H]- 452.08189 214.6
[M+NH4]+ 471.12299 213.8
[M+K]+ 492.05233 205.2
[M+H-H2O]+ 436.08643 194.3
[M+HCOO]- 498.08737 225.5
[M+CH3COO]- 512.10302 237.5
[M+Na-2H]- 474.06384 206.5
[M]+ 453.08862 208.2
[M]- 453.08972 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.