CID 3078413

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

Structural Information

Molecular Formula
C33H36N4O5
SMILES
C1=CC=C(C=C1)CNCC(=O)NC2=CC=CC=C2OCC(COC3=CC=CC=C3NC(=O)CNCC4=CC=CC=C4)O
InChI
InChI=1S/C33H36N4O5/c38-27(23-41-30-17-9-7-15-28(30)36-32(39)21-34-19-25-11-3-1-4-12-25)24-42-31-18-10-8-16-29(31)37-33(40)22-35-20-26-13-5-2-6-14-26/h1-18,27,34-35,38H,19-24H2,(H,36,39)(H,37,40)
InChIKey
ARHOMGKWOROPHV-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-[2-[3-[2-[[2-(benzylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.26855 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.27583 243.4
[M+Na]+ 591.25777 252.6
[M+NH4]+ 586.30237 246.7
[M+K]+ 607.23171 244.8
[M-H]- 567.26127 251.3
[M+Na-2H]- 589.24322 252.1
[M]+ 568.26800 246.5
[M]- 568.26910 246.5
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.