CID 3050143

Vufb-8779

Structural Information

Molecular Formula
C32H48N4O10
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)NCCCN2CCN(CC2)CCCNC(=O)COC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C32H48N4O10/c1-39-25-17-23(18-26(40-2)31(25)43-5)45-21-29(37)33-9-7-11-35-13-15-36(16-14-35)12-8-10-34-30(38)22-46-24-19-27(41-3)32(44-6)28(20-24)42-4/h17-20H,7-16,21-22H2,1-6H3,(H,33,37)(H,34,38)
InChIKey
AAQXZBZDCUADET-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenoxy)-N-[3-[4-[3-[[2-(3,4,5-trimethoxyphenoxy)acetyl]amino]propyl]piperazin-1-yl]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.33704 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.34432 252.0
[M+Na]+ 671.32626 250.3
[M-H]- 647.32976 256.8
[M+NH4]+ 666.37086 248.3
[M+K]+ 687.30020 251.1
[M+H-H2O]+ 631.33430 237.7
[M+HCOO]- 693.33524 266.2
[M+CH3COO]- 707.35089 276.2
[M+Na-2H]- 669.31171 247.1
[M]+ 648.33649 263.5
[M]- 648.33759 263.5
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.