CID 485660

Vrc3726

Structural Information

Molecular Formula
C14H16FN3O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)C=O)F
InChI
InChI=1S/C14H16FN3O4/c1-9(20)16-6-11-7-18(14(21)22-11)10-3-4-13(12(15)5-10)17(2)8-19/h3-5,8,11H,6-7H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKey
CKNLRQRSNCNMLE-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[formyl(methyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.1125 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11978 169.0
[M+Na]+ 332.10172 175.9
[M-H]- 308.10522 175.5
[M+NH4]+ 327.14632 182.9
[M+K]+ 348.07566 175.2
[M+H-H2O]+ 292.10976 160.0
[M+HCOO]- 354.11070 190.9
[M+CH3COO]- 368.12635 212.5
[M+Na-2H]- 330.08717 169.3
[M]+ 309.11195 170.4
[M]- 309.11305 170.4
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