CID 122594417

Nyx-2925

Structural Information

Molecular Formula
C14H23N3O4
SMILES
C[C@H]([C@@H](C(=O)N)N1C[C@@]2(C1=O)CCCN2C(=O)C(C)C)O
InChI
InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/t9-,10+,14-/m1/s1
InChIKey
NFXPEHLDVKVVKA-ISTVAULSSA-N
Compound name
(2S,3R)-3-hydroxy-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

66
Patents

297.16885 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.17613 178.7
[M+Na]+ 320.15807 178.1
[M+NH4]+ 315.20267 179.1
[M+K]+ 336.13201 179.2
[M-H]- 296.16157 172.7
[M+Na-2H]- 318.14352 174.8
[M]+ 297.16830 175.0
[M]- 297.16940 175.0
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