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 181.2
[M+Na]+ 427.00124 186.9
[M-H]- 403.00474 190.4
[M+NH4]+ 422.04584 193.6
[M+K]+ 442.97518 171.4
[M+H-H2O]+ 387.00928 180.3
[M+HCOO]- 449.01022 205.8
[M+CH3COO]- 463.02587 217.9
[M+Na-2H]- 424.98669 187.7
[M]+ 404.01147 197.8
[M]- 404.01257 197.8
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.