CID 485694

Vrc3856

Structural Information

Molecular Formula
C17H21FN2O5S
SMILES
C1CS(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CO)F
InChI
InChI=1S/C17H21FN2O5S/c18-15-7-12(1-2-14(15)11-3-5-26(24)6-4-11)20-9-13(25-17(20)23)8-19-16(22)10-21/h1-2,7,11,13,21H,3-6,8-10H2,(H,19,22)/t11?,13-,26?/m0/s1
InChIKey
CYFGOMYKXUDQRR-FDNWOYBOSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1155 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12278 186.8
[M+Na]+ 407.10472 191.6
[M-H]- 383.10822 192.7
[M+NH4]+ 402.14932 196.8
[M+K]+ 423.07866 188.0
[M+H-H2O]+ 367.11276 178.3
[M+HCOO]- 429.11370 197.0
[M+CH3COO]- 443.12935 215.2
[M+Na-2H]- 405.09017 182.3
[M]+ 384.11495 184.5
[M]- 384.11605 184.5
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.