CID 9639519

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

Structural Information

Molecular Formula
C23H17BrFN3O4
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)Br
InChI
InChI=1S/C23H17BrFN3O4/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
APMQRLNLIAUKCP-UVHMKAGCSA-N
Compound name
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.03864 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.04592 207.3
[M+Na]+ 520.02786 213.2
[M-H]- 496.03136 218.0
[M+NH4]+ 515.07246 216.6
[M+K]+ 536.00180 201.3
[M+H-H2O]+ 480.03590 200.7
[M+HCOO]- 542.03684 228.5
[M+CH3COO]- 556.05249 240.2
[M+Na-2H]- 518.01331 209.2
[M]+ 497.03809 225.2
[M]- 497.03919 225.2
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.