CID 486069

4,5-dihydro-3-(5-nitro-2-furyl)-4-phenyl-5-piperidino-isoxazole

Structural Information

Molecular Formula
C18H19N3O4
SMILES
C1CCN(CC1)C2C(C(=NO2)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C18H19N3O4/c22-21(23)15-10-9-14(24-15)17-16(13-7-3-1-4-8-13)18(25-19-17)20-11-5-2-6-12-20/h1,3-4,7-10,16,18H,2,5-6,11-12H2
InChIKey
HXNJQMRNYOKYFX-UHFFFAOYSA-N
Compound name
3-(5-nitrofuran-2-yl)-4-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13754 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 178.1
[M+Na]+ 364.12676 181.4
[M-H]- 340.13026 189.2
[M+NH4]+ 359.17136 187.4
[M+K]+ 380.10070 175.8
[M+H-H2O]+ 324.13480 173.0
[M+HCOO]- 386.13574 196.2
[M+CH3COO]- 400.15139 202.5
[M+Na-2H]- 362.11221 180.1
[M]+ 341.13699 173.8
[M]- 341.13809 173.8
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.