CID 6444945

Brn 1010854

Structural Information

Molecular Formula
C13H12N2O4
SMILES
C1CCC2=C(C1)N=C(O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O4/c16-15(17)13-8-6-9(18-13)5-7-12-14-10-3-1-2-4-11(10)19-12/h5-8H,1-4H2/b7-5+
InChIKey
QVIVFEVSUSITBV-FNORWQNLSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 153.9
[M+Na]+ 283.06892 166.8
[M+NH4]+ 278.11352 161.6
[M+K]+ 299.04286 167.5
[M-H]- 259.07242 160.1
[M+Na-2H]- 281.05437 158.5
[M]+ 260.07915 157.3
[M]- 260.08025 157.3
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.