CID 100067

Syringaresinol

Structural Information

Molecular Formula
C22H26O8
SMILES
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
InChI
InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3
InChIKey
KOWMJRJXZMEZLD-UHFFFAOYSA-N
Compound name
4-[6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

173
References

1760
Patents

418.16278 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17006 196.3
[M+Na]+ 441.15200 207.2
[M+NH4]+ 436.19660 201.7
[M+K]+ 457.12594 207.4
[M-H]- 417.15550 201.9
[M+Na-2H]- 439.13745 197.5
[M]+ 418.16223 199.3
[M]- 418.16333 199.3
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