CID 485762

Vrc3349

Structural Information

Molecular Formula
C15H15FN4O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SCC3=NOC=N3)F
InChI
InChI=1S/C15H15FN4O4S/c1-9(21)17-5-11-6-20(15(22)24-11)10-2-3-13(12(16)4-10)25-7-14-18-8-23-19-14/h2-4,8,11H,5-7H2,1H3,(H,17,21)/t11-/m0/s1
InChIKey
ZLJRTPIGCGDBKQ-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.0798 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08708 182.1
[M+Na]+ 389.06902 190.9
[M-H]- 365.07252 189.3
[M+NH4]+ 384.11362 191.9
[M+K]+ 405.04296 188.9
[M+H-H2O]+ 349.07706 173.5
[M+HCOO]- 411.07800 196.2
[M+CH3COO]- 425.09365 213.0
[M+Na-2H]- 387.05447 179.2
[M]+ 366.07925 186.4
[M]- 366.08035 186.4
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