CID 51061071

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

Structural Information

Molecular Formula
C23H19BrFN3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F)OCC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H19BrFN3O3/c24-19-9-5-16(6-10-19)15-31-21-4-2-1-3-18(21)13-27-28-22(29)14-26-23(30)17-7-11-20(25)12-8-17/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
AEBYIJZTSBLODN-UVHMKAGCSA-N
Compound name
N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.0594 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.06668 205.8
[M+Na]+ 506.04862 212.0
[M-H]- 482.05212 216.3
[M+NH4]+ 501.09322 215.8
[M+K]+ 522.02256 199.2
[M+H-H2O]+ 466.05666 199.2
[M+HCOO]- 528.05760 227.6
[M+CH3COO]- 542.07325 238.6
[M+Na-2H]- 504.03407 208.5
[M]+ 483.05885 223.7
[M]- 483.05995 223.7
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.