CID 5319666

3-o-methylglycyrol

Structural Information

Molecular Formula
C22H20O6
SMILES
CC(=CCC1=C(C=C2C(=C1OC)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)OC)C
InChI
InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3
InChIKey
ACDSUMGMZHXCRO-UHFFFAOYSA-N
Compound name
9-hydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

380.12598 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 187.3
[M+Na]+ 403.11520 203.9
[M+NH4]+ 398.15980 194.3
[M+K]+ 419.08914 199.0
[M-H]- 379.11870 192.3
[M+Na-2H]- 401.10065 190.1
[M]+ 380.12543 191.3
[M]- 380.12653 191.3
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