CID 497378

Chembl134772

Structural Information

Molecular Formula
C19H19FN2O5
SMILES
CC1=CC(=NO1)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4=CCOCC4)F
InChI
InChI=1S/C19H19FN2O5/c1-12-8-18(21-27-12)25-11-15-10-22(19(23)26-15)14-2-3-16(17(20)9-14)13-4-6-24-7-5-13/h2-4,8-9,15H,5-7,10-11H2,1H3/t15-/m1/s1
InChIKey
LZAQRYOHSGUUKC-OAHLLOKOSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

374.1278 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13508 184.9
[M+Na]+ 397.11702 192.3
[M-H]- 373.12052 196.0
[M+NH4]+ 392.16162 193.2
[M+K]+ 413.09096 191.7
[M+H-H2O]+ 357.12506 175.7
[M+HCOO]- 419.12600 200.5
[M+CH3COO]- 433.14165 195.3
[M+Na-2H]- 395.10247 182.6
[M]+ 374.12725 186.7
[M]- 374.12835 186.7
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