CID 497367

Chembl134145

Structural Information

Molecular Formula
C19H18FN3O4
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NC=CC=N4)F
InChI
InChI=1S/C19H18FN3O4/c20-17-10-14(2-3-16(17)13-4-8-25-9-5-13)23-11-15(27-19(23)24)12-26-18-21-6-1-7-22-18/h1-4,6-7,10,15H,5,8-9,11-12H2/t15-/m1/s1
InChIKey
DUKCFLLNVJLRJQ-OAHLLOKOSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(pyrimidin-2-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.12814 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13542 186.2
[M+Na]+ 394.11736 192.8
[M-H]- 370.12086 194.5
[M+NH4]+ 389.16196 192.2
[M+K]+ 410.09130 190.0
[M+H-H2O]+ 354.12540 173.5
[M+HCOO]- 416.12634 200.3
[M+CH3COO]- 430.14199 195.1
[M+Na-2H]- 392.10281 186.4
[M]+ 371.12759 184.8
[M]- 371.12869 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.