CID 497406

(5s)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-[(isoxazol-3-ylamino)methyl]oxazolidin-2-one

Structural Information

Molecular Formula
C19H22FN5O5
SMILES
C1CN(CCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F)C(=O)CO
InChI
InChI=1S/C19H22FN5O5/c20-15-9-13(1-2-16(15)23-4-6-24(7-5-23)18(27)12-26)25-11-14(30-19(25)28)10-21-17-3-8-29-22-17/h1-3,8-9,14,26H,4-7,10-12H2,(H,21,22)/t14-/m0/s1
InChIKey
YWCWVPSAOAKAJO-AWEZNQCLSA-N
Compound name
(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1605 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16778 196.1
[M+Na]+ 442.14972 200.5
[M-H]- 418.15322 202.5
[M+NH4]+ 437.19432 199.7
[M+K]+ 458.12366 198.0
[M+H-H2O]+ 402.15776 184.6
[M+HCOO]- 464.15870 207.2
[M+CH3COO]- 478.17435 203.0
[M+Na-2H]- 440.13517 191.4
[M]+ 419.15995 193.1
[M]- 419.16105 193.1
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.