CID 51060854

3-br-n-(2-(2-(2-((4-bromobenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C23H19Br2N3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OCC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H19Br2N3O3/c24-19-10-8-16(9-11-19)15-31-21-7-2-1-4-18(21)13-27-28-22(29)14-26-23(30)17-5-3-6-20(25)12-17/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
QWPBPZSDPKINSB-UVHMKAGCSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.9793 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.98658 199.0
[M+Na]+ 565.96852 203.6
[M-H]- 541.97202 209.4
[M+NH4]+ 561.01312 208.3
[M+K]+ 581.94246 187.8
[M+H-H2O]+ 525.97656 201.5
[M+HCOO]- 587.97750 215.5
[M+CH3COO]- 601.99315 243.5
[M+Na-2H]- 563.95397 201.7
[M]+ 542.97875 232.5
[M]- 542.97985 232.5
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.