CID 486055

5-(ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile

Structural Information

Molecular Formula
C11H10N4O5
SMILES
CCOCNC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C#N
InChI
InChI=1S/C11H10N4O5/c1-2-18-6-13-11-7(5-12)10(14-20-11)8-3-4-9(19-8)15(16)17/h3-4,13H,2,6H2,1H3
InChIKey
CCZIARQUZUIIPW-UHFFFAOYSA-N
Compound name
5-(ethoxymethylamino)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.06512 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07240 161.2
[M+Na]+ 301.05434 170.6
[M-H]- 277.05784 166.5
[M+NH4]+ 296.09894 173.4
[M+K]+ 317.02828 166.3
[M+H-H2O]+ 261.06238 150.3
[M+HCOO]- 323.06332 183.8
[M+CH3COO]- 337.07897 204.2
[M+Na-2H]- 299.03979 167.5
[M]+ 278.06457 160.4
[M]- 278.06567 160.4
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.