CID 9622191

4-(2-((3-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2N3O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H17Cl2N3O5/c1-32-18-4-2-3-16(12-18)27-21(29)22(30)28-26-13-14-5-8-17(9-6-14)33-23(31)19-10-7-15(24)11-20(19)25/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
MELYUQSOIPWZPW-LGJNPRDNSA-N
Compound name
[4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.05453 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.06181 210.7
[M+Na]+ 508.04375 223.9
[M+NH4]+ 503.08835 215.8
[M+K]+ 524.01769 216.2
[M-H]- 484.04725 216.4
[M+Na-2H]- 506.02920 218.9
[M]+ 485.05398 214.5
[M]- 485.05508 214.5
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.