CID 209354

Dtxsid30941533

Structural Information

Molecular Formula
C15H21NO5
SMILES
CCN(CC)CC(=O)OCC(=O)C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C15H21NO5/c1-4-16(5-2)9-15(19)21-10-13(18)11-6-7-12(17)14(8-11)20-3/h6-8,17H,4-5,9-10H2,1-3H3
InChIKey
BDDSJYFQRVOCQE-UHFFFAOYSA-N
Compound name
[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 167.9
[M+Na]+ 318.131188 173.2
[M-H]- 294.134694 171.2
[M+NH4]+ 313.175793 182.9
[M+K]+ 334.105128 173.0
[M+H-H2O]+ 278.139230 160.6
[M+HCOO]- 340.140171 190.0
[M+CH3COO]- 354.155821 207.2
[M+Na-2H]- 316.116636 168.3
[M]+ 295.14142142 173.9
[M]- 295.14251858 173.9
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.