CID 9625160

N-(2,3-dichlorophenyl)-2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)acetamide

Structural Information

Molecular Formula
C17H13Cl2N3O2
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3O2/c18-13-9-4-10-14(15(13)19)21-16(23)17(24)22-20-11-5-8-12-6-2-1-3-7-12/h1-11H,(H,21,23)(H,22,24)/b8-5+,20-11+
InChIKey
QJBHMCWCRDCRGA-JNJFRLMHSA-N
Compound name
N-(2,3-dichlorophenyl)-N'-[(E)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.03848 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04576 183.8
[M+Na]+ 384.02770 190.8
[M-H]- 360.03120 190.9
[M+NH4]+ 379.07230 197.4
[M+K]+ 400.00164 183.8
[M+H-H2O]+ 344.03574 176.6
[M+HCOO]- 406.03668 201.4
[M+CH3COO]- 420.05233 217.9
[M+Na-2H]- 382.01315 186.5
[M]+ 361.03793 186.7
[M]- 361.03903 186.7
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.