CID 497405

Schembl5833650

Structural Information

Molecular Formula
C17H19FN4O4
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F
InChI
InChI=1S/C17H19FN4O4/c18-14-9-12(1-2-15(14)21-4-7-24-8-5-21)22-11-13(26-17(22)23)10-19-16-3-6-25-20-16/h1-3,6,9,13H,4-5,7-8,10-11H2,(H,19,20)/t13-/m0/s1
InChIKey
TVPUMVJRZRSATF-ZDUSSCGKSA-N
Compound name
(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.13904 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14632 182.3
[M+Na]+ 385.12826 187.8
[M-H]- 361.13176 191.4
[M+NH4]+ 380.17286 189.0
[M+K]+ 401.10220 186.7
[M+H-H2O]+ 345.13630 171.6
[M+HCOO]- 407.13724 196.6
[M+CH3COO]- 421.15289 191.4
[M+Na-2H]- 383.11371 180.8
[M]+ 362.13849 180.0
[M]- 362.13959 180.0
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

patents stripe