CID 6444933

2',4'-dimethoxy-4-hydroxy-3-nitrochalcone

Structural Information

Molecular Formula
C17H15NO6
SMILES
COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])OC
InChI
InChI=1S/C17H15NO6/c1-23-12-5-6-13(17(10-12)24-2)15(19)7-3-11-4-8-16(20)14(9-11)18(21)22/h3-10,20H,1-2H3/b7-3+
InChIKey
AJTKHDACRMAHTD-XVNBXDOJSA-N
Compound name
(E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.08994 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 173.3
[M+Na]+ 352.07916 186.8
[M+NH4]+ 347.12376 178.8
[M+K]+ 368.05310 183.7
[M-H]- 328.08266 176.7
[M+Na-2H]- 350.06461 179.1
[M]+ 329.08939 175.9
[M]- 329.09049 175.9
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

patents stripe