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
6
Annotation Hits

4653
References

33566
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 176.4
[M+Na]+ 335.19412 182.4
[M+NH4]+ 330.23872 180.8
[M+K]+ 351.16806 179.1
[M-H]- 311.19762 176.3
[M+Na-2H]- 333.17957 176.6
[M]+ 312.20435 176.5
[M]- 312.20545 176.5
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