CID 6444933

Chalcone, 2',4'-dimethoxy-4-hydroxy-3-nitro-

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

6
Patents

329.08994 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.097216 173.6
[M+Na]+ 352.079158 180.0
[M-H]- 328.082664 179.4
[M+NH4]+ 347.123763 185.8
[M+K]+ 368.053098 172.9
[M+H-H2O]+ 312.087200 170.0
[M+HCOO]- 374.088141 196.4
[M+CH3COO]- 388.103791 201.1
[M+Na-2H]- 350.064606 177.1
[M]+ 329.08939142 175.6
[M]- 329.09048858 175.6
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