CID 9655099

4-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C23H18Cl2N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H18Cl2N2O5/c1-30-20-12-15(10-11-18(20)32-23(29)16-6-3-2-4-7-16)13-26-27-21(28)14-31-19-9-5-8-17(24)22(19)25/h2-13H,14H2,1H3,(H,27,28)/b26-13+
InChIKey
YDPWAZOTYNDYDQ-LGJNPRDNSA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.05927 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06655 207.6
[M+Na]+ 495.04849 214.8
[M-H]- 471.05199 217.9
[M+NH4]+ 490.09309 216.7
[M+K]+ 511.02243 209.6
[M+H-H2O]+ 455.05653 198.3
[M+HCOO]- 517.05747 223.7
[M+CH3COO]- 531.07312 237.0
[M+Na-2H]- 493.03394 208.6
[M]+ 472.05872 216.8
[M]- 472.05982 216.8
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.