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 173.6
[M+Na]+ 352.07916 180.0
[M-H]- 328.08266 179.4
[M+NH4]+ 347.12376 185.8
[M+K]+ 368.05310 172.9
[M+H-H2O]+ 312.08720 170.0
[M+HCOO]- 374.08814 196.4
[M+CH3COO]- 388.10379 201.1
[M+Na-2H]- 350.06461 177.1
[M]+ 329.08939 175.6
[M]- 329.09049 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