CID 136806666

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

Structural Information

Molecular Formula
C16H14BrN3O3
SMILES
C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C16H14BrN3O3/c17-13-6-3-5-11(8-13)16(23)18-10-15(22)20-19-9-12-4-1-2-7-14(12)21/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChIKey
QLDWMKMEIFMPKZ-UHFFFAOYSA-N
Compound name
3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.02185 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.029126 175.6
[M+Na]+ 398.011068 182.8
[M-H]- 374.014574 183.9
[M+NH4]+ 393.055673 189.7
[M+K]+ 413.985008 170.6
[M+H-H2O]+ 358.019110 171.6
[M+HCOO]- 420.020051 198.3
[M+CH3COO]- 434.035701 217.2
[M+Na-2H]- 395.996516 180.5
[M]+ 375.02130142 192.7
[M]- 375.02239858 192.7
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.