CID 21672563

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

Structural Information

Molecular Formula
C17H16O5
SMILES
CO[C@H]1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)OC
InChI
InChI=1S/C17H16O5/c1-19-10-4-6-11-14(8-10)21-16-12-5-3-9(18)7-13(12)22-17(20-2)15(11)16/h3-8,15-18H,1-2H3/t15-,16-,17+/m0/s1
InChIKey
VDHFFCPQILOKFG-YESZJQIVSA-N
Compound name
(6R,6aS,11aR)-6,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.107036 164.2
[M+Na]+ 323.088978 173.9
[M-H]- 299.092484 171.1
[M+NH4]+ 318.133583 181.4
[M+K]+ 339.062918 172.6
[M+H-H2O]+ 283.097020 158.3
[M+HCOO]- 345.097961 180.7
[M+CH3COO]- 359.113611 176.7
[M+Na-2H]- 321.074426 170.3
[M]+ 300.09921142 169.6
[M]- 300.10030858 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.