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 222.3
[M+Na]+ 523.28909 219.8
[M-H]- 499.29259 225.2
[M+NH4]+ 518.33369 226.2
[M+K]+ 539.26303 217.0
[M+H-H2O]+ 483.29713 210.7
[M+HCOO]- 545.29807 243.0
[M+CH3COO]- 559.31372 251.5
[M+Na-2H]- 521.27454 220.7
[M]+ 500.29932 225.4
[M]- 500.30042 225.4
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.