CID 9650084

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

Structural Information

Molecular Formula
C23H18Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2O)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O5/c1-2-31-21-11-14(13-26-27-22(29)17-5-3-4-6-19(17)28)7-10-20(21)32-23(30)16-9-8-15(24)12-18(16)25/h3-13,28H,2H2,1H3,(H,27,29)/b26-13+
InChIKey
RTRNCIRMGMBSHL-LGJNPRDNSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.05927 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06655 207.3
[M+Na]+ 495.04849 214.9
[M-H]- 471.05199 216.7
[M+NH4]+ 490.09309 216.1
[M+K]+ 511.02243 209.2
[M+H-H2O]+ 455.05653 198.7
[M+HCOO]- 517.05747 222.0
[M+CH3COO]- 531.07312 236.3
[M+Na-2H]- 493.03394 207.3
[M]+ 472.05872 215.3
[M]- 472.05982 215.3
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.