CID 51060253

N'-(3-(benzyloxy)benzylidene)-2-((1,1'-biphenyl)-4-yloxy)propanohydrazide

Structural Information

Molecular Formula
C29H26N2O3
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OCC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H26N2O3/c1-22(34-27-17-15-26(16-18-27)25-12-6-3-7-13-25)29(32)31-30-20-24-11-8-14-28(19-24)33-21-23-9-4-2-5-10-23/h2-20,22H,21H2,1H3,(H,31,32)/b30-20+
InChIKey
XRNPJONFTBRLOM-TWKHWXDSSA-N
Compound name
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.19434 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.20162 211.7
[M+Na]+ 473.18356 214.0
[M-H]- 449.18706 224.0
[M+NH4]+ 468.22816 218.5
[M+K]+ 489.15750 208.7
[M+H-H2O]+ 433.19160 198.7
[M+HCOO]- 495.19254 235.3
[M+CH3COO]- 509.20819 238.1
[M+Na-2H]- 471.16901 214.1
[M]+ 450.19379 212.5
[M]- 450.19489 212.5
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.