CID 132155398

Zelquistinel

Structural Information

Molecular Formula
C15H25N3O5
SMILES
C[C@H]([C@@H](C(=O)N)N1C[C@]2(C1=O)CCCN2C(=O)OC(C)(C)C)O
InChI
InChI=1S/C15H25N3O5/c1-9(19)10(11(16)20)17-8-15(12(17)21)6-5-7-18(15)13(22)23-14(2,3)4/h9-10,19H,5-8H2,1-4H3,(H2,16,20)/t9-,10+,15+/m1/s1
InChIKey
ABAPCYNTEPGBNJ-FTGAXOIBSA-N
Compound name
tert-butyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

327.1794 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18668 183.7
[M+Na]+ 350.16862 182.5
[M+NH4]+ 345.21322 183.4
[M+K]+ 366.14256 184.5
[M-H]- 326.17212 176.9
[M+Na-2H]- 348.15407 179.8
[M]+ 327.17885 179.7
[M]- 327.17995 179.7
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

patents stripe