CID 6445612

R 5134

Structural Information

Molecular Formula
C14H15NO5
SMILES
CC1=C(OC2=C(C(=CC(=C12)OC)OC)/C=C/[N+](=O)[O-])C
InChI
InChI=1S/C14H15NO5/c1-8-9(2)20-14-10(5-6-15(16)17)11(18-3)7-12(19-4)13(8)14/h5-7H,1-4H3/b6-5+
InChIKey
BANYQUJDHHCDQT-AATRIKPKSA-N
Compound name
4,6-dimethoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09503 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 159.7
[M+Na]+ 300.08425 173.8
[M+NH4]+ 295.12885 166.8
[M+K]+ 316.05819 172.4
[M-H]- 276.08775 163.6
[M+Na-2H]- 298.06970 163.3
[M]+ 277.09448 162.7
[M]- 277.09558 162.7
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.