CID 136806685

2-(((2-(5-br-2-hydroxybenzylidene)hydrazino)(oxo)acetyl)amino)-n-phenylbenzamide

Structural Information

Molecular Formula
C22H17BrN4O4
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)NN=CC3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C22H17BrN4O4/c23-15-10-11-19(28)14(12-15)13-24-27-22(31)21(30)26-18-9-5-4-8-17(18)20(29)25-16-6-2-1-3-7-16/h1-13,28H,(H,25,29)(H,26,30)(H,27,31)
InChIKey
KOFIXPQWBUBOKI-UHFFFAOYSA-N
Compound name
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.04333 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.05061 200.8
[M+Na]+ 503.03255 205.7
[M-H]- 479.03605 211.5
[M+NH4]+ 498.07715 209.7
[M+K]+ 519.00649 193.8
[M+H-H2O]+ 463.04059 194.8
[M+HCOO]- 525.04153 222.8
[M+CH3COO]- 539.05718 237.7
[M+Na-2H]- 501.01800 204.1
[M]+ 480.04278 216.8
[M]- 480.04388 216.8
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.