CID 209354

19767-89-6

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]+ 296.14925 167.9
[M+Na]+ 318.13119 173.2
[M-H]- 294.13469 171.2
[M+NH4]+ 313.17579 182.9
[M+K]+ 334.10513 173.0
[M+H-H2O]+ 278.13923 160.6
[M+HCOO]- 340.14017 190.0
[M+CH3COO]- 354.15582 207.2
[M+Na-2H]- 316.11664 168.3
[M]+ 295.14142 173.9
[M]- 295.14252 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.