CID 476918

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

Structural Information

Molecular Formula
C15H18FN3O4
SMILES
C1COCCN1C2=C(C=C(C=C2)C3=NO[C@H](C3)CNC(=O)O)F
InChI
InChI=1S/C15H18FN3O4/c16-12-7-10(1-2-14(12)19-3-5-22-6-4-19)13-8-11(23-18-13)9-17-15(20)21/h1-2,7,11,17H,3-6,8-9H2,(H,20,21)/t11-/m1/s1
InChIKey
JVINXHBHFNFBJQ-LLVKDONJSA-N
Compound name
[(5R)-3-(3-fluoro-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

323.12814 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13542 173.8
[M+Na]+ 346.11736 178.4
[M-H]- 322.12086 179.0
[M+NH4]+ 341.16196 182.6
[M+K]+ 362.09130 176.9
[M+H-H2O]+ 306.12540 163.5
[M+HCOO]- 368.12634 188.1
[M+CH3COO]- 382.14199 204.7
[M+Na-2H]- 344.10281 174.4
[M]+ 323.12759 169.9
[M]- 323.12869 169.9
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.