CID 15160709

Ponganone viii

Structural Information

Molecular Formula
C24H26O7
SMILES
CC1(C=CC2=C(C(=CC(=C2O1)OC)C(=O)CC(C3=CC4=C(C=C3)OCO4)OC)OC)C
InChI
InChI=1S/C24H26O7/c1-24(2)9-8-15-22(28-5)16(11-21(27-4)23(15)31-24)17(25)12-19(26-3)14-6-7-18-20(10-14)30-13-29-18/h6-11,19H,12-13H2,1-5H3
InChIKey
UETHJWQOQPORJI-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.16785 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17513 201.7
[M+Na]+ 449.15707 209.1
[M-H]- 425.16057 212.2
[M+NH4]+ 444.20167 213.3
[M+K]+ 465.13101 210.8
[M+H-H2O]+ 409.16511 194.4
[M+HCOO]- 471.16605 216.3
[M+CH3COO]- 485.18170 230.0
[M+Na-2H]- 447.14252 203.6
[M]+ 426.16730 211.8
[M]- 426.16840 211.8
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