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 214.9
[M+Na]+ 524.03866 218.5
[M-H]- 500.04216 224.3
[M+NH4]+ 519.08326 221.0
[M+K]+ 540.01260 210.5
[M+H-H2O]+ 484.04670 210.1
[M+HCOO]- 546.04764 230.3
[M+CH3COO]- 560.06329 236.5
[M+Na-2H]- 522.02411 216.1
[M]+ 501.04889 220.6
[M]- 501.04999 220.6
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.