CID 65028

Oseltamivir

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC
InChI
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
InChIKey
VSZGPKBBMSAYNT-RRFJBIMHSA-N
Compound name
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4675
References

33711
Patents

312.2049 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 176.9
[M+Na]+ 335.19412 180.0
[M-H]- 311.19762 179.1
[M+NH4]+ 330.23872 190.9
[M+K]+ 351.16806 179.2
[M+H-H2O]+ 295.20216 169.7
[M+HCOO]- 357.20310 195.9
[M+CH3COO]- 371.21875 214.2
[M+Na-2H]- 333.17957 173.4
[M]+ 312.20435 177.4
[M]- 312.20545 177.4
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.