CID 154234

Peramivir

Structural Information

Molecular Formula
C15H28N4O4
SMILES
CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C
InChI
InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
InChIKey
XRQDFNLINLXZLB-CKIKVBCHSA-N
Compound name
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

313
References

10511
Patents

328.21106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21834 180.5
[M+Na]+ 351.20028 180.5
[M+NH4]+ 346.24488 182.5
[M+K]+ 367.17422 182.8
[M-H]- 327.20378 178.4
[M+Na-2H]- 349.18573 176.7
[M]+ 328.21051 178.6
[M]- 328.21161 178.6
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