CID 45054640

2-(2-(3-bromobenzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C15H12BrN3O2
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H12BrN3O2/c16-12-6-4-5-11(9-12)10-17-19-15(21)14(20)18-13-7-2-1-3-8-13/h1-10H,(H,18,20)(H,19,21)/b17-10+
InChIKey
DGAHMBPMWNUEAK-LICLKQGHSA-N
Compound name
N'-[(E)-(3-bromophenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0113 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01858 168.8
[M+Na]+ 368.00052 176.5
[M-H]- 344.00402 178.5
[M+NH4]+ 363.04512 184.8
[M+K]+ 383.97446 164.6
[M+H-H2O]+ 328.00856 165.1
[M+HCOO]- 390.00950 193.3
[M+CH3COO]- 404.02515 212.8
[M+Na-2H]- 365.98597 175.4
[M]+ 345.01075 185.8
[M]- 345.01185 185.8
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.