CID 99091

1,4-bis(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan

Structural Information

Molecular Formula
C24H30O8
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3
InChIKey
HRLFUIXSXUASEX-UHFFFAOYSA-N
Compound name
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

168
Patents

446.19406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20134 203.8
[M+Na]+ 469.18328 211.2
[M-H]- 445.18678 216.7
[M+NH4]+ 464.22788 215.3
[M+K]+ 485.15722 212.4
[M+H-H2O]+ 429.19132 197.5
[M+HCOO]- 491.19226 222.4
[M+CH3COO]- 505.20791 233.4
[M+Na-2H]- 467.16873 200.8
[M]+ 446.19351 215.7
[M]- 446.19461 215.7
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