CID 485652

Vrc3603

Structural Information

Molecular Formula
C14H16FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)CO)F
InChI
InChI=1S/C14H16FN3O5/c1-8(20)16-5-10-6-18(14(22)23-10)9-2-3-12(11(15)4-9)17-13(21)7-19/h2-4,10,19H,5-7H2,1H3,(H,16,20)(H,17,21)/t10-/m0/s1
InChIKey
BBZBQDCGBKZWNP-JTQLQIEISA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1074 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11468 172.3
[M+Na]+ 348.09662 178.0
[M-H]- 324.10012 176.0
[M+NH4]+ 343.14122 184.0
[M+K]+ 364.07056 176.4
[M+H-H2O]+ 308.10466 163.5
[M+HCOO]- 370.10560 191.3
[M+CH3COO]- 384.12125 209.6
[M+Na-2H]- 346.08207 171.8
[M]+ 325.10685 171.2
[M]- 325.10795 171.2
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.