CID 497377

Chembl341161

Structural Information

Molecular Formula
C18H17FN2O5
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C18H17FN2O5/c19-16-9-13(1-2-15(16)12-3-6-23-7-4-12)21-10-14(26-18(21)22)11-24-17-5-8-25-20-17/h1-3,5,8-9,14H,4,6-7,10-11H2/t14-/m1/s1
InChIKey
YVJAOORXDHZETP-CQSZACIVSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

360.11215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11943 179.4
[M+Na]+ 383.10137 186.4
[M-H]- 359.10487 190.3
[M+NH4]+ 378.14597 188.0
[M+K]+ 399.07531 186.1
[M+H-H2O]+ 343.10941 170.2
[M+HCOO]- 405.11035 195.4
[M+CH3COO]- 419.12600 190.0
[M+Na-2H]- 381.08682 178.4
[M]+ 360.11160 180.5
[M]- 360.11270 180.5
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