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

9
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

literature stripe

Patent stripe

patents stripe