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

40
Patents

354.1831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.190376 186.0
[M+Na]+ 377.172318 192.9
[M-H]- 353.175824 193.9
[M+NH4]+ 372.216923 199.6
[M+K]+ 393.146258 190.8
[M+H-H2O]+ 337.180360 177.0
[M+HCOO]- 399.181301 198.4
[M+CH3COO]- 413.196951 195.8
[M+Na-2H]- 375.157766 190.2
[M]+ 354.18255142 186.8
[M]- 354.18364858 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