CID 45054808

N-(2-(2-benzylidenehydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c17-13-7-6-12(8-14(13)18)16(23)19-10-15(22)21-20-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
ODTVPPKCEWYOBW-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.045756 179.4
[M+Na]+ 372.027698 186.4
[M-H]- 348.031204 186.5
[M+NH4]+ 367.072303 193.4
[M+K]+ 388.001638 180.2
[M+H-H2O]+ 332.035740 172.3
[M+HCOO]- 394.036681 197.0
[M+CH3COO]- 408.052331 217.0
[M+Na-2H]- 370.013146 182.7
[M]+ 349.03793142 182.8
[M]- 349.03902858 182.8
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.