CID 6306814

39060-03-2

Structural Information

Molecular Formula
C17H15NO5
SMILES
COC1=CC=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H15NO5/c1-22-16-5-3-4-13(17(16)23-2)8-11-15(19)12-6-9-14(10-7-12)18(20)21/h3-11H,1-2H3/b11-8+
InChIKey
SLXURXWJGMKJLK-DHZHZOJOSA-N
Compound name
(E)-3-(2,3-dimethoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09503 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 170.1
[M+Na]+ 336.08425 184.3
[M+NH4]+ 331.12885 176.6
[M+K]+ 352.05819 180.2
[M-H]- 312.08775 174.4
[M+Na-2H]- 334.06970 177.2
[M]+ 313.09448 173.2
[M]- 313.09558 173.2
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.