CID 9639457

2-(2-(2-bromobenzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C17H16BrN3O2
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2Br
InChI
InChI=1S/C17H16BrN3O2/c1-2-12-7-9-14(10-8-12)20-16(22)17(23)21-19-11-13-5-3-4-6-15(13)18/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKey
WEHOLWVDHDDJDB-YBFXNURJSA-N
Compound name
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0426 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04988 178.0
[M+Na]+ 396.03182 185.6
[M-H]- 372.03532 187.6
[M+NH4]+ 391.07642 193.2
[M+K]+ 412.00576 173.4
[M+H-H2O]+ 356.03986 174.0
[M+HCOO]- 418.04080 201.7
[M+CH3COO]- 432.05645 219.5
[M+Na-2H]- 394.01727 182.8
[M]+ 373.04205 195.9
[M]- 373.04315 195.9
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.