CID 497426

Schembl7082649

Structural Information

Molecular Formula
C19H21FN4O6
SMILES
C1CN(C[C@H]1NC(=O)CO)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C19H21FN4O6/c20-15-7-13(1-2-16(15)23-5-3-12(8-23)21-17(26)10-25)24-9-14(30-19(24)27)11-28-18-4-6-29-22-18/h1-2,4,6-7,12,14,25H,3,5,8-11H2,(H,21,26)/t12-,14+/m0/s1
InChIKey
OMCLVRPAOWMCAL-GXTWGEPZSA-N
Compound name
N-[(3S)-1-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrolidin-3-yl]-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

420.1445 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15178 191.2
[M+Na]+ 443.13372 195.9
[M-H]- 419.13722 199.9
[M+NH4]+ 438.17832 198.2
[M+K]+ 459.10766 195.1
[M+H-H2O]+ 403.14176 182.3
[M+HCOO]- 465.14270 206.3
[M+CH3COO]- 479.15835 222.1
[M+Na-2H]- 441.11917 185.9
[M]+ 420.14395 191.6
[M]- 420.14505 191.6
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.