CID 25184541

Contezolid

Structural Information

Molecular Formula
C18H15F3N4O4
SMILES
C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
InChI
InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
InChIKey
SULYVXZZUMRQAX-NSHDSACASA-N
Compound name
(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

75
Patents

408.10455 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11183 198.8
[M+Na]+ 431.09377 207.6
[M+NH4]+ 426.13837 201.2
[M+K]+ 447.06771 206.6
[M-H]- 407.09727 200.7
[M+Na-2H]- 429.07922 200.5
[M]+ 408.10400 200.0
[M]- 408.10510 200.0
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