CID 485699

Vrc3881

Structural Information

Molecular Formula
C17H20F2N2O5S
SMILES
C1CS(=O)(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CF)F
InChI
InChI=1S/C17H20F2N2O5S/c18-8-16(22)20-9-13-10-21(17(23)26-13)12-1-2-14(15(19)7-12)11-3-5-27(24,25)6-4-11/h1-2,7,11,13H,3-6,8-10H2,(H,20,22)/t13-/m0/s1
InChIKey
QPBVEQITQKMSDU-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.1061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11338 187.4
[M+Na]+ 425.09532 193.9
[M-H]- 401.09882 193.5
[M+NH4]+ 420.13992 199.3
[M+K]+ 441.06926 190.6
[M+H-H2O]+ 385.10336 178.6
[M+HCOO]- 447.10430 198.3
[M+CH3COO]- 461.11995 218.9
[M+Na-2H]- 423.08077 184.4
[M]+ 402.10555 185.7
[M]- 402.10665 185.7
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

No patent data available for this compound.