CID 77916093

9-hydroxy-1,3-dimethoxy-2-prenylpterocarpan

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 188.4
[M+Na]+ 391.15160 196.7
[M-H]- 367.15510 194.8
[M+NH4]+ 386.19620 202.9
[M+K]+ 407.12554 194.4
[M+H-H2O]+ 351.15964 182.1
[M+HCOO]- 413.16058 202.1
[M+CH3COO]- 427.17623 219.1
[M+Na-2H]- 389.13705 189.8
[M]+ 368.16183 194.4
[M]- 368.16293 194.4
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.