CID 45055005

2-(((2-(3-(benzyloxy)benzylidene)hydrazino)(oxo)ac)amino)-n-cyclohexylbenzamide

Structural Information

Molecular Formula
C29H30N4O4
SMILES
C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=CC(=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C29H30N4O4/c34-27(31-23-13-5-2-6-14-23)25-16-7-8-17-26(25)32-28(35)29(36)33-30-19-22-12-9-15-24(18-22)37-20-21-10-3-1-4-11-21/h1,3-4,7-12,15-19,23H,2,5-6,13-14,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19+
InChIKey
PGSWFCLJIHNDEE-NDZAJKAJSA-N
Compound name
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2267 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.233976 216.8
[M+Na]+ 521.215918 214.6
[M-H]- 497.219424 228.0
[M+NH4]+ 516.260523 220.7
[M+K]+ 537.189858 210.8
[M+H-H2O]+ 481.223960 203.8
[M+HCOO]- 543.224901 238.0
[M+CH3COO]- 557.240551 249.8
[M+Na-2H]- 519.201366 217.6
[M]+ 498.22615142 211.8
[M]- 498.22724858 211.8
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.