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 186.0
[M+Na]+ 377.17232 192.9
[M-H]- 353.17582 193.9
[M+NH4]+ 372.21692 199.6
[M+K]+ 393.14626 190.8
[M+H-H2O]+ 337.18036 177.0
[M+HCOO]- 399.18130 198.4
[M+CH3COO]- 413.19695 195.8
[M+Na-2H]- 375.15777 190.2
[M]+ 354.18255 186.8
[M]- 354.18365 186.8
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