CID 135821630

N-(2-(2-(5-bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C16H13BrIN3O3
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O)I
InChI
InChI=1S/C16H13BrIN3O3/c17-11-5-6-14(22)10(7-11)8-20-21-15(23)9-19-16(24)12-3-1-2-4-13(12)18/h1-8,22H,9H2,(H,19,24)(H,21,23)/b20-8+
InChIKey
XLQOCGZKYJTZIB-DNTJNYDQSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.9185 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.92578 197.6
[M+Na]+ 523.90772 198.3
[M-H]- 499.91122 199.0
[M+NH4]+ 518.95232 206.5
[M+K]+ 539.88166 191.9
[M+H-H2O]+ 483.91576 189.5
[M+HCOO]- 545.91670 214.6
[M+CH3COO]- 559.93235 226.9
[M+Na-2H]- 521.89317 189.2
[M]+ 500.91795 211.2
[M]- 500.91905 211.2
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.