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]+ 254.113536 157.4
[M+Na]+ 276.095478 163.1
[M-H]- 252.098984 165.7
[M+NH4]+ 271.140083 173.2
[M+K]+ 292.069418 160.8
[M+H-H2O]+ 236.103520 154.9
[M+HCOO]- 298.104461 182.4
[M+CH3COO]- 312.120111 192.7
[M+Na-2H]- 274.080926 162.9
[M]+ 253.10571142 159.7
[M]- 253.10680858 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.