CID 176205

Einecs 268-378-1

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 176.9
[M+Na]+ 347.15774 180.7
[M-H]- 323.16124 179.9
[M+NH4]+ 342.20234 190.3
[M+K]+ 363.13168 180.5
[M+H-H2O]+ 307.16578 168.8
[M+HCOO]- 369.16672 199.6
[M+CH3COO]- 383.18237 214.8
[M+Na-2H]- 345.14319 177.1
[M]+ 324.16797 182.2
[M]- 324.16907 182.2
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.