CID 497430

1-[(3r)-1-[2-fluoro-4-[(5s)-5-[(isoxazol-3-ylamino)methyl]-2-oxo-oxazolidin-3-yl]phenyl]pyrrolidin-3-yl]-3-methyl-urea

Structural Information

Molecular Formula
C19H23FN6O4
SMILES
CNC(=O)N[C@@H]1CCN(C1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
InChI
InChI=1S/C19H23FN6O4/c1-21-18(27)23-12-4-6-25(10-12)16-3-2-13(8-15(16)20)26-11-14(30-19(26)28)9-22-17-5-7-29-24-17/h2-3,5,7-8,12,14H,4,6,9-11H2,1H3,(H,22,24)(H2,21,23,27)/t12-,14+/m1/s1
InChIKey
PAVWFUJTXYDMCS-OCCSQVGLSA-N
Compound name
1-[(3R)-1-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrolidin-3-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.17648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18376 193.6
[M+Na]+ 441.16570 197.4
[M-H]- 417.16920 203.6
[M+NH4]+ 436.21030 200.9
[M+K]+ 457.13964 196.0
[M+H-H2O]+ 401.17374 183.5
[M+HCOO]- 463.17468 211.9
[M+CH3COO]- 477.19033 201.9
[M+Na-2H]- 439.15115 189.9
[M]+ 418.17593 191.8
[M]- 418.17703 191.8
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.