CID 77916093

1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromen-9-ol

Structural Information

Molecular Formula
C22H24O5
SMILES
CC(=CCC1=C(C=C2C(=C1OC)C3C(CO2)C4=C(O3)C=C(C=C4)O)OC)C
InChI
InChI=1S/C22H24O5/c1-12(2)5-7-15-17(24-3)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(23)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3
InChIKey
ZCGOJWAIXQAUMW-UHFFFAOYSA-N
Compound name
1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16238 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 187.2
[M+Na]+ 391.15160 200.2
[M+NH4]+ 386.19620 194.9
[M+K]+ 407.12554 195.7
[M-H]- 367.15510 192.0
[M+Na-2H]- 389.13705 187.4
[M]+ 368.16183 190.4
[M]- 368.16293 190.4
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

No patent data available for this compound.