CID 134354913

Chembl4473963

Structural Information

Molecular Formula
C14H22N6O4
SMILES
C1CCN(C1)C2=NOC(=N2)[C@H](CC(=O)N)NC(=O)[C@@H]3C[C@@H](CN3)O
InChI
InChI=1S/C14H22N6O4/c15-11(22)6-10(17-12(23)9-5-8(21)7-16-9)13-18-14(19-24-13)20-3-1-2-4-20/h8-10,16,21H,1-7H2,(H2,15,22)(H,17,23)/t8-,9-,10-/m0/s1
InChIKey
SFGGVDXQGJRZAI-GUBZILKMSA-N
Compound name
(2S,4S)-N-[(1S)-3-amino-3-oxo-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

338.17026 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17754 175.6
[M+Na]+ 361.15948 178.1
[M+NH4]+ 356.20408 177.8
[M+K]+ 377.13342 184.5
[M-H]- 337.16298 175.5
[M+Na-2H]- 359.14493 175.3
[M]+ 338.16971 174.8
[M]- 338.17081 174.8
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