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 207.8
[M+Na]+ 478.06957 222.0
[M+NH4]+ 473.11417 214.4
[M+K]+ 494.04351 212.2
[M-H]- 454.07307 214.9
[M+Na-2H]- 476.05502 217.4
[M]+ 455.07980 212.3
[M]- 455.08090 212.3
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.

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No patent data available for this compound.