CID 126494519

Tbi-223

Structural Information

Molecular Formula
C17H20FN3O5
SMILES
COC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4(C3)COC4)F
InChI
InChI=1S/C17H20FN3O5/c1-24-15(22)19-5-12-6-21(16(23)26-12)11-2-3-14(13(18)4-11)20-7-17(8-20)9-25-10-17/h2-4,12H,5-10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey
ZNBRXLSWXJKKLJ-LBPRGKRZSA-N
Compound name
methyl N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

92
Patents

365.1387 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14598 168.4
[M+Na]+ 388.12792 170.5
[M-H]- 364.13142 176.0
[M+NH4]+ 383.17252 166.2
[M+K]+ 404.10186 176.6
[M+H-H2O]+ 348.13596 150.4
[M+HCOO]- 410.13690 180.6
[M+CH3COO]- 424.15255 223.3
[M+Na-2H]- 386.11337 168.6
[M]+ 365.13815 184.4
[M]- 365.13925 184.4
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