CID 10468234

Dimethylhydroxy dihydroflavone

Structural Information

Molecular Formula
C17H16O3
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@@](C(=O)C3=CC=CC=C3O2)(C)O
InChI
InChI=1S/C17H16O3/c1-11-7-9-12(10-8-11)16-17(2,19)15(18)13-5-3-4-6-14(13)20-16/h3-10,16,19H,1-2H3/t16-,17+/m1/s1
InChIKey
PMUWWDBIGFMHAW-SJORKVTESA-N
Compound name
(2R,3R)-3-hydroxy-3-methyl-2-(4-methylphenyl)-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

264
Patents

268.10995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 159.9
[M+Na]+ 291.09917 175.7
[M+NH4]+ 286.14377 170.4
[M+K]+ 307.07311 166.2
[M-H]- 267.10267 166.2
[M+Na-2H]- 289.08462 168.8
[M]+ 268.10940 164.3
[M]- 268.11050 164.3
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