CID 9639242

3-bromo-n-(2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H13BrN4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H13BrN4O4/c17-13-5-2-4-12(8-13)16(23)18-10-15(22)20-19-9-11-3-1-6-14(7-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)/b19-9+
InChIKey
NWFJCBDLDSZHAL-DJKKODMXSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.01202 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01930 182.5
[M+Na]+ 427.00124 183.7
[M+NH4]+ 422.04584 184.5
[M+K]+ 442.97518 186.3
[M-H]- 403.00474 185.8
[M+Na-2H]- 424.98669 185.7
[M]+ 404.01147 182.0
[M]- 404.01257 182.0
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.