CID 510278

[4-[(5s)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-methyl-sulfamic acid

Structural Information

Molecular Formula
C13H16FN3O6S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)S(=O)(=O)O)F
InChI
InChI=1S/C13H16FN3O6S/c1-8(18)15-6-10-7-17(13(19)23-10)9-3-4-12(11(14)5-9)16(2)24(20,21)22/h3-5,10H,6-7H2,1-2H3,(H,15,18)(H,20,21,22)/t10-/m0/s1
InChIKey
BFRUKAXBRGCGRB-JTQLQIEISA-N
Compound name
[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-methylsulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.07437 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08165 177.3
[M+Na]+ 384.06359 183.8
[M-H]- 360.06709 182.5
[M+NH4]+ 379.10819 188.7
[M+K]+ 400.03753 182.9
[M+H-H2O]+ 344.07163 169.5
[M+HCOO]- 406.07257 191.8
[M+CH3COO]- 420.08822 215.2
[M+Na-2H]- 382.04904 177.4
[M]+ 361.07382 180.2
[M]- 361.07492 180.2
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

No patent data available for this compound.