CID 47732

Vufb-8780

Structural Information

Molecular Formula
C18H28N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)NCCCN2CCOCC2
InChI
InChI=1S/C18H28N2O6/c1-22-15-11-14(12-16(23-2)18(15)24-3)26-13-17(21)19-5-4-6-20-7-9-25-10-8-20/h11-12H,4-10,13H2,1-3H3,(H,19,21)
InChIKey
ILXGGFWNGHVLPT-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20201 187.4
[M+Na]+ 391.18395 190.4
[M-H]- 367.18745 192.1
[M+NH4]+ 386.22855 196.3
[M+K]+ 407.15789 190.6
[M+H-H2O]+ 351.19199 177.3
[M+HCOO]- 413.19293 205.2
[M+CH3COO]- 427.20858 218.4
[M+Na-2H]- 389.16940 188.7
[M]+ 368.19418 192.4
[M]- 368.19528 192.4
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.