CID 9578687

3-(2-furanyl)-n-((3-nitrophenyl)methylene)-5-isoxazolamine

Structural Information

Molecular Formula
C14H9N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/C2=CC(=NO2)C3=CC=CO3
InChI
InChI=1S/C14H9N3O4/c18-17(19)11-4-1-3-10(7-11)9-15-14-8-12(16-21-14)13-5-2-6-20-13/h1-9H/b15-9+
InChIKey
PLUSYHFBIFRFEV-OQLLNIDSSA-N
Compound name
(E)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06658 160.9
[M+Na]+ 306.04852 169.0
[M-H]- 282.05202 173.3
[M+NH4]+ 301.09312 175.1
[M+K]+ 322.02246 164.2
[M+H-H2O]+ 266.05656 157.3
[M+HCOO]- 328.05750 190.2
[M+CH3COO]- 342.07315 194.7
[M+Na-2H]- 304.03397 169.5
[M]+ 283.05875 164.4
[M]- 283.05985 164.4
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.