CID 45055094

2-(2-(2-((4-bromobenzyl)oxy)benzylidene)hydrazino)-n-(1-naphthyl)-2-oxoacetamide

Structural Information

Molecular Formula
C26H20BrN3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Br
InChI
InChI=1S/C26H20BrN3O3/c27-21-14-12-18(13-15-21)17-33-24-11-4-2-7-20(24)16-28-30-26(32)25(31)29-23-10-5-8-19-6-1-3-9-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKey
LZZBIWQGIQANEK-LQKURTRISA-N
Compound name
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.0688 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.07608 210.9
[M+Na]+ 524.05802 216.6
[M-H]- 500.06152 223.1
[M+NH4]+ 519.10262 220.9
[M+K]+ 540.03196 204.4
[M+H-H2O]+ 484.06606 205.1
[M+HCOO]- 546.06700 232.2
[M+CH3COO]- 560.08265 241.7
[M+Na-2H]- 522.04347 215.9
[M]+ 501.06825 229.2
[M]- 501.06935 229.2
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.