CID 10338211

3'-hydroxy-4'-methoxyglabridin

Structural Information

Molecular Formula
C21H22O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)OC)O)O)C
InChI
InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3
InChIKey
PPBISUGOQDBBEL-UHFFFAOYSA-N
Compound name
3-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-6-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

354.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 184.0
[M+Na]+ 377.13595 192.7
[M-H]- 353.13945 191.6
[M+NH4]+ 372.18055 197.3
[M+K]+ 393.10989 190.8
[M+H-H2O]+ 337.14399 175.6
[M+HCOO]- 399.14493 196.9
[M+CH3COO]- 413.16058 194.3
[M+Na-2H]- 375.12140 188.9
[M]+ 354.14618 186.3
[M]- 354.14728 186.3
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