CID 10862711

Ulexin d

Structural Information

Molecular Formula
C25H24O6
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=CC5=C(CC(O5)C(C)(C)O)C(=C4C3=O)O)C
InChI
InChI=1S/C25H24O6/c1-24(2)8-7-14-9-13(5-6-17(14)31-24)16-12-29-19-11-18-15(22(26)21(19)23(16)27)10-20(30-18)25(3,4)28/h5-9,11-12,20,26,28H,10H2,1-4H3
InChIKey
CVRIJAMWTQXHRM-UHFFFAOYSA-N
Compound name
6-(2,2-dimethylchromen-6-yl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

420.1573 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 200.5
[M+Na]+ 443.14652 210.7
[M-H]- 419.15002 210.3
[M+NH4]+ 438.19112 212.6
[M+K]+ 459.12046 209.5
[M+H-H2O]+ 403.15456 193.7
[M+HCOO]- 465.15550 211.4
[M+CH3COO]- 479.17115 210.7
[M+Na-2H]- 441.13197 205.4
[M]+ 420.15675 206.3
[M]- 420.15785 206.3
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