CID 176205

68083-29-4

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CCOC(=O)CCN(CCO)C1=C(C=CC(=C1)NC(=O)C)OC
InChI
InChI=1S/C16H24N2O5/c1-4-23-16(21)7-8-18(9-10-19)14-11-13(17-12(2)20)5-6-15(14)22-3/h5-6,11,19H,4,7-10H2,1-3H3,(H,17,20)
InChIKey
ARIQQHZBLXZETR-UHFFFAOYSA-N
Compound name
ethyl 3-[5-acetamido-N-(2-hydroxyethyl)-2-methoxyanilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 177.1
[M+Na]+ 347.15774 184.3
[M+NH4]+ 342.20234 181.1
[M+K]+ 363.13168 180.8
[M-H]- 323.16124 176.9
[M+Na-2H]- 345.14319 179.2
[M]+ 324.16797 177.5
[M]- 324.16907 177.5
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.