CID 478257

Pnu-141659

Structural Information

Molecular Formula
C17H21FN2O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)(=O)CC3)F
InChI
InChI=1S/C17H21FN2O5S/c1-11(21)19-9-14-10-20(17(22)25-14)13-2-3-15(16(18)8-13)12-4-6-26(23,24)7-5-12/h2-3,8,12,14H,4-7,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKey
APLKUVOYWLOSDM-AWEZNQCLSA-N
Compound name
N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

384.1155 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12278 184.8
[M+Na]+ 407.10472 191.3
[M-H]- 383.10822 192.3
[M+NH4]+ 402.14932 197.5
[M+K]+ 423.07866 188.4
[M+H-H2O]+ 367.11276 176.9
[M+HCOO]- 429.11370 196.7
[M+CH3COO]- 443.12935 216.3
[M+Na-2H]- 405.09017 182.3
[M]+ 384.11495 184.1
[M]- 384.11605 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

patents stripe