CID 6445611

Benzofuran, 4,7-dimethoxy-2,3-dimethyl-6-(2-nitroethenyl)-

Structural Information

Molecular Formula
C14H15NO5
SMILES
CC1=C(OC2=C(C(=CC(=C12)OC)/C=C/[N+](=O)[O-])OC)C
InChI
InChI=1S/C14H15NO5/c1-8-9(2)20-14-12(8)11(18-3)7-10(13(14)19-4)5-6-15(16)17/h5-7H,1-4H3/b6-5+
InChIKey
DUHSNHJKMSONHV-AATRIKPKSA-N
Compound name
4,7-dimethoxy-2,3-dimethyl-6-[(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]+ 278.102306 160.9
[M+Na]+ 300.084248 171.5
[M-H]- 276.087754 167.6
[M+NH4]+ 295.128853 178.8
[M+K]+ 316.058188 165.9
[M+H-H2O]+ 260.092290 159.9
[M+HCOO]- 322.093231 186.6
[M+CH3COO]- 336.108881 195.5
[M+Na-2H]- 298.069696 167.3
[M]+ 277.09448142 168.2
[M]- 277.09557858 168.2
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.