CID 497372

Chembl133711

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CC1=NC(=CC=C1)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4=CCOCC4)F
InChI
InChI=1S/C21H21FN2O4/c1-14-3-2-4-20(23-14)27-13-17-12-24(21(25)28-17)16-5-6-18(19(22)11-16)15-7-9-26-10-8-15/h2-7,11,17H,8-10,12-13H2,1H3/t17-/m1/s1
InChIKey
WNJLYMBRAXMRQC-QGZVFWFLSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(6-methylpyridin-2-yl)oxymethyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

384.14853 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15581 191.6
[M+Na]+ 407.13775 198.3
[M-H]- 383.14125 201.4
[M+NH4]+ 402.18235 198.9
[M+K]+ 423.11169 195.5
[M+H-H2O]+ 367.14579 179.8
[M+HCOO]- 429.14673 206.4
[M+CH3COO]- 443.16238 200.8
[M+Na-2H]- 405.12320 190.3
[M]+ 384.14798 190.9
[M]- 384.14908 190.9
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

patents stripe