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]+ 499.23398 216.8
[M+Na]+ 521.21592 214.6
[M-H]- 497.21942 228.0
[M+NH4]+ 516.26052 220.7
[M+K]+ 537.18986 210.8
[M+H-H2O]+ 481.22396 203.8
[M+HCOO]- 543.22490 238.0
[M+CH3COO]- 557.24055 249.8
[M+Na-2H]- 519.20137 217.6
[M]+ 498.22615 211.8
[M]- 498.22725 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.