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]+ 456.08763 207.2
[M+Na]+ 478.06957 213.0
[M-H]- 454.07307 216.8
[M+NH4]+ 473.11417 216.5
[M+K]+ 494.04351 206.1
[M+H-H2O]+ 438.07761 197.7
[M+HCOO]- 500.07855 223.9
[M+CH3COO]- 514.09420 236.7
[M+Na-2H]- 476.05502 209.0
[M]+ 455.07980 212.6
[M]- 455.08090 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.