CID 3078411

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

Structural Information

Molecular Formula
C27H40N4O5
SMILES
CCCCNCC(=O)NC1=CC=CC=C1OCC(COC2=CC=CC=C2NC(=O)CNCCCC)O
InChI
InChI=1S/C27H40N4O5/c1-3-5-15-28-17-26(33)30-22-11-7-9-13-24(22)35-19-21(32)20-36-25-14-10-8-12-23(25)31-27(34)18-29-16-6-4-2/h7-14,21,28-29,32H,3-6,15-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKey
WAFGYRJGFHOMEG-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-[2-[3-[2-[[2-(butylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.29987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.30715 227.0
[M+Na]+ 523.28909 231.7
[M+NH4]+ 518.33369 228.9
[M+K]+ 539.26303 226.3
[M-H]- 499.29259 229.3
[M+Na-2H]- 521.27454 229.3
[M]+ 500.29932 227.5
[M]- 500.30042 227.5
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.