CID 449381

Oseltamivir acid

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKey
NENPYTRHICXVCS-YNEHKIRRSA-N
Compound name
(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

99
References

4974
Patents

284.1736 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 168.1
[M+Na]+ 307.16282 171.5
[M-H]- 283.16632 169.1
[M+NH4]+ 302.20742 182.3
[M+K]+ 323.13676 170.3
[M+H-H2O]+ 267.17086 161.4
[M+HCOO]- 329.17180 186.1
[M+CH3COO]- 343.18745 206.6
[M+Na-2H]- 305.14827 165.0
[M]+ 284.17305 166.0
[M]- 284.17415 166.0
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.