CID 51060615

N-(2-(2-(2-((4-br-benzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C23H19BrIN3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I)OCC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H19BrIN3O3/c24-18-11-9-16(10-12-18)15-31-21-8-4-1-5-17(21)13-27-28-22(29)14-26-23(30)19-6-2-3-7-20(19)25/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
FPJZEXLZYWMIFE-UVHMKAGCSA-N
Compound name
N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.96545 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.97273 222.8
[M+Na]+ 613.95467 221.7
[M-H]- 589.95817 226.9
[M+NH4]+ 608.99927 228.2
[M+K]+ 629.92861 215.2
[M+H-H2O]+ 573.96271 213.0
[M+HCOO]- 635.96365 239.8
[M+CH3COO]- 649.97930 243.4
[M+Na-2H]- 611.94012 213.9
[M]+ 590.96490 237.5
[M]- 590.96600 237.5
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.