CID 51060361

3-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H18Cl2N2O5
SMILES
COC1=CC=CC=C1OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O5/c1-30-20-7-2-3-8-21(20)31-14-22(28)27-26-13-15-5-4-6-17(11-15)32-23(29)18-10-9-16(24)12-19(18)25/h2-13H,14H2,1H3,(H,27,28)/b26-13+
InChIKey
KBCGZMJZXFOPCP-LGJNPRDNSA-N
Compound name
[3-[(E)-[[2-(2-methoxyphenoxy)acetyl]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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06655 208.0
[M+Na]+ 495.04849 222.8
[M+NH4]+ 490.09309 214.0
[M+K]+ 511.02243 214.0
[M-H]- 471.05199 214.0
[M+Na-2H]- 493.03394 217.0
[M]+ 472.05872 212.4
[M]- 472.05982 212.4
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.