CID 485644

Vrc-3522

Structural Information

Molecular Formula
C14H18FN3O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)S(=O)(=O)C)F
InChI
InChI=1S/C14H18FN3O5S/c1-9(19)16-7-11-8-18(14(20)23-11)10-4-5-13(12(15)6-10)17(2)24(3,21)22/h4-6,11H,7-8H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKey
RSWAMGLQEBPHID-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

359.09512 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10240 179.3
[M+Na]+ 382.08434 186.3
[M-H]- 358.08784 185.8
[M+NH4]+ 377.12894 191.6
[M+K]+ 398.05828 185.2
[M+H-H2O]+ 342.09238 171.2
[M+HCOO]- 404.09332 194.8
[M+CH3COO]- 418.10897 218.1
[M+Na-2H]- 380.06979 178.8
[M]+ 359.09457 183.0
[M]- 359.09567 183.0
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