CID 51060944

N-(2-(2-(2-((4-bromobenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C23H18BrCl2N3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H18BrCl2N3O3/c24-18-8-5-15(6-9-18)14-32-21-4-2-1-3-17(21)12-28-29-22(30)13-27-23(31)16-7-10-19(25)20(26)11-16/h1-12H,13-14H2,(H,27,31)(H,29,30)/b28-12+
InChIKey
LLZMFYOSXASSJA-KVSWJAHQSA-N
Compound name
N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.99084 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.99812 212.2
[M+Na]+ 555.98006 221.1
[M-H]- 531.98356 223.7
[M+NH4]+ 551.02466 222.4
[M+K]+ 571.95400 206.2
[M+H-H2O]+ 515.98810 208.3
[M+HCOO]- 577.98904 226.2
[M+CH3COO]- 592.00469 243.7
[M+Na-2H]- 553.96551 214.2
[M]+ 532.99029 235.4
[M]- 532.99139 235.4
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.