CID 136806671

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

Structural Information

Molecular Formula
C16H14IN3O3
SMILES
C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC=CC=C2I)O
InChI
InChI=1S/C16H14IN3O3/c17-13-7-3-2-6-12(13)16(23)18-10-15(22)20-19-9-11-5-1-4-8-14(11)21/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChIKey
UMMVJVYENCBPJK-UHFFFAOYSA-N
Compound name
N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.008 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.01528 190.7
[M+Na]+ 445.99722 188.2
[M-H]- 422.00072 189.7
[M+NH4]+ 441.04182 198.8
[M+K]+ 461.97116 190.6
[M+H-H2O]+ 406.00526 177.7
[M+HCOO]- 468.00620 210.5
[M+CH3COO]- 482.02185 218.8
[M+Na-2H]- 443.98267 181.6
[M]+ 423.00745 186.8
[M]- 423.00855 186.8
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.