CID 3078416

Propanamide, n,n'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(3-((phenylmethyl)amino)-

Structural Information

Molecular Formula
C35H40N4O5
SMILES
C1=CC=C(C=C1)CNCCC(=O)NC2=CC=CC=C2OCC(COC3=CC=CC=C3NC(=O)CCNCC4=CC=CC=C4)O
InChI
InChI=1S/C35H40N4O5/c40-29(25-43-32-17-9-7-15-30(32)38-34(41)19-21-36-23-27-11-3-1-4-12-27)26-44-33-18-10-8-16-31(33)39-35(42)20-22-37-24-28-13-5-2-6-14-28/h1-18,29,36-37,40H,19-26H2,(H,38,41)(H,39,42)
InChIKey
BJZDXPBYEGJECT-UHFFFAOYSA-N
Compound name
3-(benzylamino)-N-[2-[3-[2-[3-(benzylamino)propanoylamino]phenoxy]-2-hydroxypropoxy]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.29987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.30715 239.4
[M+Na]+ 619.28909 235.1
[M-H]- 595.29259 247.5
[M+NH4]+ 614.33369 237.8
[M+K]+ 635.26303 230.9
[M+H-H2O]+ 579.29713 225.2
[M+HCOO]- 641.29807 259.3
[M+CH3COO]- 655.31372 266.3
[M+Na-2H]- 617.27454 239.9
[M]+ 596.29932 239.5
[M]- 596.30042 239.5
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.