CID 486061

N,n-diethyl-3-(5-nitro-2-furyl)-4,5-dihydroisoxazol-5-amine

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CCN(CC)C1CC(=NO1)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4/c1-3-13(4-2)11-7-8(12-18-11)9-5-6-10(17-9)14(15)16/h5-6,11H,3-4,7H2,1-2H3
InChIKey
LWDAMDATDCNJJO-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(5-nitrofuran-2-yl)-4,5-dihydro-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 157.4
[M+Na]+ 276.09548 163.1
[M-H]- 252.09898 165.7
[M+NH4]+ 271.14008 173.2
[M+K]+ 292.06942 160.8
[M+H-H2O]+ 236.10352 154.9
[M+HCOO]- 298.10446 182.4
[M+CH3COO]- 312.12011 192.7
[M+Na-2H]- 274.08093 162.9
[M]+ 253.10571 159.7
[M]- 253.10681 159.7
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.