CID 45055310

4-br-2-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C23H17BrCl2N2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17BrCl2N2O4/c1-14(31-18-9-7-17(25)8-10-18)22(29)28-27-13-15-12-16(24)6-11-21(15)32-23(30)19-4-2-3-5-20(19)26/h2-14H,1H3,(H,28,29)/b27-13+
InChIKey
YQQYWZXJNOCXKQ-UVHMKAGCSA-N
Compound name
[4-bromo-2-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.97485 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.98213 209.9
[M+Na]+ 556.96407 219.2
[M-H]- 532.96757 221.8
[M+NH4]+ 552.00867 220.4
[M+K]+ 572.93801 205.9
[M+H-H2O]+ 516.97211 206.8
[M+HCOO]- 578.97305 222.4
[M+CH3COO]- 592.98870 241.7
[M+Na-2H]- 554.94952 210.8
[M]+ 533.97430 234.7
[M]- 533.97540 234.7
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.