CID 45054667

N-(2-(2-(4-butoxybenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C20H22IN3O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C20H22IN3O3/c1-2-3-12-27-16-10-8-15(9-11-16)13-23-24-19(25)14-22-20(26)17-6-4-5-7-18(17)21/h4-11,13H,2-3,12,14H2,1H3,(H,22,26)(H,24,25)/b23-13+
InChIKey
KNIXTHCSLPVDOM-YDZHTSKRSA-N
Compound name
N-[2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.07788 208.7
[M+Na]+ 502.05982 204.9
[M-H]- 478.06332 208.2
[M+NH4]+ 497.10442 215.2
[M+K]+ 518.03376 207.2
[M+H-H2O]+ 462.06786 194.6
[M+HCOO]- 524.06880 228.5
[M+CH3COO]- 538.08445 232.1
[M+Na-2H]- 500.04527 198.0
[M]+ 479.07005 207.7
[M]- 479.07115 207.7
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.