CID 9633125

N-(2-(2-(4-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C23H19Cl2N3O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H19Cl2N3O3/c24-20-11-8-18(12-21(20)25)23(30)26-14-22(29)28-27-13-16-6-9-19(10-7-16)31-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
AORFVCSRAQIOCB-UVHMKAGCSA-N
Compound name
3,4-dichloro-N-[2-oxo-2-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.08035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.087626 207.2
[M+Na]+ 478.069568 213.0
[M-H]- 454.073074 216.8
[M+NH4]+ 473.114173 216.5
[M+K]+ 494.043508 206.1
[M+H-H2O]+ 438.077610 197.7
[M+HCOO]- 500.078551 223.9
[M+CH3COO]- 514.094201 236.7
[M+Na-2H]- 476.055016 209.0
[M]+ 455.07980142 212.6
[M]- 455.08089858 212.6
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.