CID 213049

Posizolid

Structural Information

Molecular Formula
C21H21F2N3O7
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)[C@H](CO)O
InChI
InChI=1S/C21H21F2N3O7/c22-15-7-13(26-9-14(33-21(26)30)11-31-18-3-6-32-24-18)8-16(23)19(15)12-1-4-25(5-2-12)20(29)17(28)10-27/h1,3,6-8,14,17,27-28H,2,4-5,9-11H2/t14-,17+/m1/s1
InChIKey
HBUJYEUPIIJJOS-PBHICJAKSA-N
Compound name
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

3692
Patents

465.13477 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.14205 210.9
[M+Na]+ 488.12399 218.1
[M+NH4]+ 483.16859 211.7
[M+K]+ 504.09793 220.0
[M-H]- 464.12749 211.7
[M+Na-2H]- 486.10944 210.6
[M]+ 465.13422 211.4
[M]- 465.13532 211.4
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