CID 476968

Schembl8407800

Structural Information

Molecular Formula
C15H12FN5O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NOC(=N3)C#N)F
InChI
InChI=1S/C15H12FN5O4/c1-8(22)18-6-10-7-21(15(23)24-10)9-2-3-11(12(16)4-9)14-19-13(5-17)25-20-14/h2-4,10H,6-7H2,1H3,(H,18,22)/t10-/m0/s1
InChIKey
VVHQQBSCHJPEND-JTQLQIEISA-N
Compound name
N-[[(5S)-3-[4-(5-cyano-1,2,4-oxadiazol-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

5
Patents

345.08734 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09462 171.1
[M+Na]+ 368.07656 180.9
[M-H]- 344.08006 174.9
[M+NH4]+ 363.12116 178.9
[M+K]+ 384.05050 178.2
[M+H-H2O]+ 328.08460 153.7
[M+HCOO]- 390.08554 185.5
[M+CH3COO]- 404.10119 221.1
[M+Na-2H]- 366.06201 169.9
[M]+ 345.08679 167.2
[M]- 345.08789 167.2
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