CID 47730

Vufb-8988

Structural Information

Molecular Formula
C17H26N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)NCCN2CCOCC2
InChI
InChI=1S/C17H26N2O6/c1-21-14-10-13(11-15(22-2)17(14)23-3)25-12-16(20)18-4-5-19-6-8-24-9-7-19/h10-11H,4-9,12H2,1-3H3,(H,18,20)
InChIKey
GRWQBRNVUCIFQU-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17908 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18636 182.9
[M+Na]+ 377.16830 186.4
[M-H]- 353.17180 187.8
[M+NH4]+ 372.21290 192.4
[M+K]+ 393.14224 186.8
[M+H-H2O]+ 337.17634 173.0
[M+HCOO]- 399.17728 201.1
[M+CH3COO]- 413.19293 215.4
[M+Na-2H]- 375.15375 184.7
[M]+ 354.17853 187.5
[M]- 354.17963 187.5
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.