CID 11630102

Oseltamivir impurity 25

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)O
InChI
InChI=1S/C11H18N2O4/c1-3-17-11(16)7-4-8(12)10(9(15)5-7)13-6(2)14/h5,8-10,15H,3-4,12H2,1-2H3,(H,13,14)/t8-,9+,10+/m0/s1
InChIKey
ZMPNPIVRPAPPQU-IVZWLZJFSA-N
Compound name
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-hydroxycyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

242.12666 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 154.6
[M+Na]+ 265.115878 159.6
[M-H]- 241.119384 156.2
[M+NH4]+ 260.160483 170.7
[M+K]+ 281.089818 158.5
[M+H-H2O]+ 225.123920 148.3
[M+HCOO]- 287.124861 174.6
[M+CH3COO]- 301.140511 195.9
[M+Na-2H]- 263.101326 154.3
[M]+ 242.12611142 152.0
[M]- 242.12720858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe