CID 497431

Schembl5834673

Structural Information

Molecular Formula
C19H22FN5O5
SMILES
C1CN(C[C@H]1NC(=O)CO)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
InChI
InChI=1S/C19H22FN5O5/c20-15-7-13(1-2-16(15)24-5-3-12(9-24)22-18(27)11-26)25-10-14(30-19(25)28)8-21-17-4-6-29-23-17/h1-2,4,6-7,12,14,26H,3,5,8-11H2,(H,21,23)(H,22,27)/t12-,14-/m0/s1
InChIKey
SCVXLZWEIBFIDT-JSGCOSHPSA-N
Compound name
N-[(3S)-1-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-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

6
Patents

419.1605 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16778 192.3
[M+Na]+ 442.14972 196.2
[M-H]- 418.15322 201.0
[M+NH4]+ 437.19432 199.0
[M+K]+ 458.12366 194.7
[M+H-H2O]+ 402.15776 182.8
[M+HCOO]- 464.15870 208.2
[M+CH3COO]- 478.17435 225.2
[M+Na-2H]- 440.13517 187.6
[M]+ 419.15995 190.7
[M]- 419.16105 190.7
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.