CID 160481

Isosakuranetin

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKey
HMUJXQRRKBLVOO-AWEZNQCLSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

65
References

1296
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