CID 9634253

3-(2-(2-(4-nitrophenoxy)propanoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2N3O6
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H17Cl2N3O6/c1-14(33-18-8-6-17(7-9-18)28(31)32)22(29)27-26-13-15-3-2-4-19(11-15)34-23(30)20-10-5-16(24)12-21(20)25/h2-14H,1H3,(H,27,29)/b26-13+
InChIKey
VUSBWOYDRZAXGY-LGJNPRDNSA-N
Compound name
[3-[(E)-[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.04944 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.05672 211.2
[M+Na]+ 524.03866 225.3
[M+NH4]+ 519.08326 216.4
[M+K]+ 540.01260 220.4
[M-H]- 500.04216 217.8
[M+Na-2H]- 522.02411 219.2
[M]+ 501.04889 215.4
[M]- 501.04999 215.4
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.