CID 5316733

5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3
InChIKey
QUAPPCXFYKSDSV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

21
Patents

286.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 161.7
[M+Na]+ 309.073358 170.5
[M-H]- 285.076864 168.1
[M+NH4]+ 304.117963 176.0
[M+K]+ 325.047298 167.9
[M+H-H2O]+ 269.081400 154.4
[M+HCOO]- 331.082341 179.5
[M+CH3COO]- 345.097991 197.6
[M+Na-2H]- 307.058806 166.5
[M]+ 286.08359142 162.9
[M]- 286.08468858 162.9
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