CID 9607915

2-ethoxy-4-(2-(4-nitrobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2N3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H17Cl2N3O6/c1-2-33-21-11-14(13-26-27-22(29)15-4-7-17(8-5-15)28(31)32)3-10-20(21)34-23(30)18-9-6-16(24)12-19(18)25/h3-13H,2H2,1H3,(H,27,29)/b26-13+
InChIKey
BNOCMDCHADIWEG-LGJNPRDNSA-N
Compound name
[2-ethoxy-4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.04944 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.05672 212.5
[M+Na]+ 524.03866 227.3
[M+NH4]+ 519.08326 217.8
[M+K]+ 540.01260 221.7
[M-H]- 500.04216 219.4
[M+Na-2H]- 522.02411 220.5
[M]+ 501.04889 217.0
[M]- 501.04999 217.0
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.