CID 485696

Vrc3816

Structural Information

Molecular Formula
C17H20F2N2O4S
SMILES
C1CS(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CF)F
InChI
InChI=1S/C17H20F2N2O4S/c18-8-16(22)20-9-13-10-21(17(23)25-13)12-1-2-14(15(19)7-12)11-3-5-26(24)6-4-11/h1-2,7,11,13H,3-6,8-10H2,(H,20,22)/t11?,13-,26?/m0/s1
InChIKey
LGGYFDBCTJLTBK-FDNWOYBOSA-N
Compound name
2-fluoro-N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.11118 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11846 187.0
[M+Na]+ 409.10040 192.7
[M-H]- 385.10390 192.9
[M+NH4]+ 404.14500 197.7
[M+K]+ 425.07434 188.8
[M+H-H2O]+ 369.10844 177.4
[M+HCOO]- 431.10938 197.5
[M+CH3COO]- 445.12503 217.7
[M+Na-2H]- 407.08585 181.9
[M]+ 386.11063 184.1
[M]- 386.11173 184.1
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.