CID 688663

Dtxsid901000666

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H14O4/c1-19-12-9-6-10-13-14(12)15(18)17(20-2)16(21-13)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey
MLYYOHQNXPDGGV-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

282
Patents

282.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.2
[M+Na]+ 305.078418 171.7
[M-H]- 281.081924 170.5
[M+NH4]+ 300.123023 177.1
[M+K]+ 321.052358 169.5
[M+H-H2O]+ 265.086460 153.0
[M+HCOO]- 327.087401 184.3
[M+CH3COO]- 341.103051 201.1
[M+Na-2H]- 303.063866 168.7
[M]+ 282.08865142 167.2
[M]- 282.08974858 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe