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

6958
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

literature stripe

Patent stripe

patents stripe