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

49
Patents

327.1794 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.186676 182.2
[M+Na]+ 350.168618 183.7
[M-H]- 326.172124 182.7
[M+NH4]+ 345.213223 189.4
[M+K]+ 366.142558 186.8
[M+H-H2O]+ 310.176660 171.2
[M+HCOO]- 372.177601 192.6
[M+CH3COO]- 386.193251 210.4
[M+Na-2H]- 348.154066 178.3
[M]+ 327.17885142 188.5
[M]- 327.17994858 188.5
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