CID 476927

[(5r)-3-(3,5-difluoro-4-morpholino-phenyl)-4,5-dihydroisoxazol-5-yl]methylcarbamic acid

Structural Information

Molecular Formula
C15H17F2N3O4
SMILES
C1COCCN1C2=C(C=C(C=C2F)C3=NO[C@H](C3)CNC(=O)O)F
InChI
InChI=1S/C15H17F2N3O4/c16-11-5-9(13-7-10(24-19-13)8-18-15(21)22)6-12(17)14(11)20-1-3-23-4-2-20/h5-6,10,18H,1-4,7-8H2,(H,21,22)/t10-/m1/s1
InChIKey
KRCYIZGCCRXLNK-SNVBAGLBSA-N
Compound name
[(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1187 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12598 177.6
[M+Na]+ 364.10792 183.2
[M-H]- 340.11142 181.8
[M+NH4]+ 359.15252 185.9
[M+K]+ 380.08186 181.2
[M+H-H2O]+ 324.11596 166.6
[M+HCOO]- 386.11690 190.8
[M+CH3COO]- 400.13255 208.7
[M+Na-2H]- 362.09337 176.9
[M]+ 341.11815 173.1
[M]- 341.11925 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.