CID 477304

Chembl323337

Structural Information

Molecular Formula
C16H20FN3O3
SMILES
CC(=O)NC[C@H]1CC(=NO1)C2=CC(=C(C=C2)N3CCOCC3)F
InChI
InChI=1S/C16H20FN3O3/c1-11(21)18-10-13-9-15(19-23-13)12-2-3-16(14(17)8-12)20-4-6-22-7-5-20/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m1/s1
InChIKey
IOOBYXNXRDCQBG-CYBMUJFWSA-N
Compound name
N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

321.14886 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15614 175.9
[M+Na]+ 344.13808 180.8
[M-H]- 320.14158 182.3
[M+NH4]+ 339.18268 185.6
[M+K]+ 360.11202 179.2
[M+H-H2O]+ 304.14612 165.3
[M+HCOO]- 366.14706 191.2
[M+CH3COO]- 380.16271 207.7
[M+Na-2H]- 342.12353 176.2
[M]+ 321.14831 172.7
[M]- 321.14941 172.7
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