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
2
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]+ 325.175796 176.9
[M+Na]+ 347.157738 180.7
[M-H]- 323.161244 179.9
[M+NH4]+ 342.202343 190.3
[M+K]+ 363.131678 180.5
[M+H-H2O]+ 307.165780 168.8
[M+HCOO]- 369.166721 199.6
[M+CH3COO]- 383.182371 214.8
[M+Na-2H]- 345.143186 177.1
[M]+ 324.16797142 182.2
[M]- 324.16906858 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.