CID 45054665

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

Structural Information

Molecular Formula
C18H18IN3O3
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C18H18IN3O3/c1-2-25-16-10-6-3-7-13(16)11-21-22-17(23)12-20-18(24)14-8-4-5-9-15(14)19/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKey
SGWKFSVICOIASV-SRZZPIQSSA-N
Compound name
N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.03928 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.04656 199.3
[M+Na]+ 474.02850 196.4
[M-H]- 450.03200 199.2
[M+NH4]+ 469.07310 206.9
[M+K]+ 490.00244 199.1
[M+H-H2O]+ 434.03654 185.7
[M+HCOO]- 496.03748 219.8
[M+CH3COO]- 510.05313 226.5
[M+Na-2H]- 472.01395 189.7
[M]+ 451.03873 197.7
[M]- 451.03983 197.7
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.