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 216.5
[M+Na]+ 524.03866 221.3
[M-H]- 500.04216 226.2
[M+NH4]+ 519.08326 223.0
[M+K]+ 540.01260 212.7
[M+H-H2O]+ 484.04670 211.6
[M+HCOO]- 546.04764 232.8
[M+CH3COO]- 560.06329 237.0
[M+Na-2H]- 522.02411 218.1
[M]+ 501.04889 223.1
[M]- 501.04999 223.1
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.