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]+ 350.04576 179.4
[M+Na]+ 372.02770 186.4
[M-H]- 348.03120 186.5
[M+NH4]+ 367.07230 193.4
[M+K]+ 388.00164 180.2
[M+H-H2O]+ 332.03574 172.3
[M+HCOO]- 394.03668 197.0
[M+CH3COO]- 408.05233 217.0
[M+Na-2H]- 370.01315 182.7
[M]+ 349.03793 182.8
[M]- 349.03903 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.