CID 485760

Vrc3340

Structural Information

Molecular Formula
C16H14FN3O5S2
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SC3=C(C=CS3)[N+](=O)[O-])F
InChI
InChI=1S/C16H14FN3O5S2/c1-9(21)18-7-11-8-19(16(22)25-11)10-2-3-14(12(17)6-10)27-15-13(20(23)24)4-5-26-15/h2-6,11H,7-8H2,1H3,(H,18,21)/t11-/m0/s1
InChIKey
AQMXFPORHFVAMM-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(3-nitrothiophen-2-yl)sulfanylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

411.0359 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.04318 191.1
[M+Na]+ 434.02512 197.1
[M-H]- 410.02862 199.4
[M+NH4]+ 429.06972 201.9
[M+K]+ 449.99906 188.8
[M+H-H2O]+ 394.03316 188.1
[M+HCOO]- 456.03410 203.1
[M+CH3COO]- 470.04975 214.6
[M+Na-2H]- 432.01057 189.6
[M]+ 411.03535 191.5
[M]- 411.03645 191.5
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