CID 11151159

2,3,9-trimethoxypterocarpan

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC2=C(C=C1)C3COC4=CC(=C(C=C4C3O2)OC)OC
InChI
InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3
InChIKey
XCRBPIBUMBLGCZ-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

314.11542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 169.3
[M+Na]+ 337.10464 183.8
[M+NH4]+ 332.14924 178.5
[M+K]+ 353.07858 178.9
[M-H]- 313.10814 175.2
[M+Na-2H]- 335.09009 172.0
[M]+ 314.11487 173.2
[M]- 314.11597 173.2
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