CID 5320622

Fargesin

Structural Information

Molecular Formula
C21H22O6
SMILES
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC
InChI
InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3
InChIKey
AWOGQCSIVCQXBT-UHFFFAOYSA-N
Compound name
5-[6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

125
Patents

370.14163 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 182.0
[M+Na]+ 393.13085 189.5
[M-H]- 369.13435 196.5
[M+NH4]+ 388.17545 196.1
[M+K]+ 409.10479 191.1
[M+H-H2O]+ 353.13889 179.4
[M+HCOO]- 415.13983 198.6
[M+CH3COO]- 429.15548 194.2
[M+Na-2H]- 391.11630 181.3
[M]+ 370.14108 188.3
[M]- 370.14218 188.3
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