CID 118204185

Vutiglabridin

Structural Information

Molecular Formula
C22H26O4
SMILES
CCOC1=CC(=C(C=C1)C2CC3=C(C4=C(C=C3)OC(CC4)(C)C)OC2)O
InChI
InChI=1S/C22H26O4/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20/h5-8,12,15,23H,4,9-11,13H2,1-3H3
InChIKey
IUXJXQLTUMGHHL-UHFFFAOYSA-N
Compound name
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

354.1831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 185.3
[M+Na]+ 377.17232 200.2
[M+NH4]+ 372.21692 195.6
[M+K]+ 393.14626 190.5
[M-H]- 353.17582 193.3
[M+Na-2H]- 375.15777 191.1
[M]+ 354.18255 190.1
[M]- 354.18365 190.1
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

patents stripe