CID 47740

Vufb-5054

Structural Information

Molecular Formula
C17H27NO6
SMILES
CCN(CC)CCOC(=O)COC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C17H27NO6/c1-6-18(7-2)8-9-23-16(19)12-24-13-10-14(20-3)17(22-5)15(11-13)21-4/h10-11H,6-9,12H2,1-5H3
InChIKey
XXFMVIDMTROVPR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(3,4,5-trimethoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18384 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19112 179.9
[M+Na]+ 364.17306 185.4
[M-H]- 340.17656 184.5
[M+NH4]+ 359.21766 194.1
[M+K]+ 380.14700 186.5
[M+H-H2O]+ 324.18110 171.7
[M+HCOO]- 386.18204 203.8
[M+CH3COO]- 400.19769 218.8
[M+Na-2H]- 362.15851 180.5
[M]+ 341.18329 191.7
[M]- 341.18439 191.7
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.