CID 476958

N-[[(5s)-3-[4-(5-cyanoisoxazol-3-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

Molecular Formula
C16H13FN4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NOC(=C3)C#N)F
InChI
InChI=1S/C16H13FN4O4/c1-9(22)19-7-12-8-21(16(23)24-12)10-2-3-13(14(17)4-10)15-5-11(6-18)25-20-15/h2-5,12H,7-8H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey
SGYPDLBYNJEPBY-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-[4-(5-cyano-1,2-oxazol-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09207 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09935 173.5
[M+Na]+ 367.08129 183.5
[M-H]- 343.08479 178.7
[M+NH4]+ 362.12589 182.8
[M+K]+ 383.05523 180.3
[M+H-H2O]+ 327.08933 157.1
[M+HCOO]- 389.09027 189.0
[M+CH3COO]- 403.10592 221.2
[M+Na-2H]- 365.06674 172.1
[M]+ 344.09152 169.6
[M]- 344.09262 169.6
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

No patent data available for this compound.