CID 480799

Glyinflanin b

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)CC(=O)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H18O5/c1-20(2)8-7-13-9-15(18(24)11-19(13)25-20)17(23)10-16(22)12-3-5-14(21)6-4-12/h3-9,11,21,24H,10H2,1-2H3
InChIKey
KXBWVUQZNQMUBZ-UHFFFAOYSA-N
Compound name
1-(7-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

338.11542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.9
[M+Na]+ 361.10464 185.7
[M-H]- 337.10814 184.0
[M+NH4]+ 356.14924 191.7
[M+K]+ 377.07858 183.0
[M+H-H2O]+ 321.11268 170.6
[M+HCOO]- 383.11362 193.9
[M+CH3COO]- 397.12927 208.6
[M+Na-2H]- 359.09009 181.1
[M]+ 338.11487 180.0
[M]- 338.11597 180.0
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

No patent data available for this compound.