CID 485749

Vrc3393

Structural Information

Molecular Formula
C13H14FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NO)F
InChI
InChI=1S/C13H14FN3O5/c1-7(18)15-5-9-6-17(13(20)22-9)8-2-3-10(11(14)4-8)12(19)16-21/h2-4,9,21H,5-6H2,1H3,(H,15,18)(H,16,19)/t9-/m0/s1
InChIKey
PENSVJBLPDIHGG-VIFPVBQESA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

311.09174 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09902 167.7
[M+Na]+ 334.08096 173.9
[M-H]- 310.08446 171.6
[M+NH4]+ 329.12556 180.1
[M+K]+ 350.05490 172.5
[M+H-H2O]+ 294.08900 159.2
[M+HCOO]- 356.08994 187.1
[M+CH3COO]- 370.10559 206.6
[M+Na-2H]- 332.06641 167.7
[M]+ 311.09119 166.3
[M]- 311.09229 166.3
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.