CID 6445611

R 5213

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]+ 278.10231 160.9
[M+Na]+ 300.08425 171.5
[M-H]- 276.08775 167.6
[M+NH4]+ 295.12885 178.8
[M+K]+ 316.05819 165.9
[M+H-H2O]+ 260.09229 159.9
[M+HCOO]- 322.09323 186.6
[M+CH3COO]- 336.10888 195.5
[M+Na-2H]- 298.06970 167.3
[M]+ 277.09448 168.2
[M]- 277.09558 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.