CID 373518

Nsc649971

Structural Information

Molecular Formula
C23H20O5
SMILES
COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=CC(=C(C=C4O3)OCC5=CC=CC=C5)O
InChI
InChI=1S/C23H20O5/c1-25-15-7-8-16-20(9-15)27-13-18-17-10-19(24)22(11-21(17)28-23(16)18)26-12-14-5-3-2-4-6-14/h2-11,18,23-24H,12-13H2,1H3/t18-,23-/m1/s1
InChIKey
PDTQQLCWYVFMQN-WZONZLPQSA-N
Compound name
(6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13835 185.8
[M+Na]+ 399.12029 194.0
[M-H]- 375.12379 195.3
[M+NH4]+ 394.16489 199.1
[M+K]+ 415.09423 191.4
[M+H-H2O]+ 359.12833 177.7
[M+HCOO]- 421.12927 201.4
[M+CH3COO]- 435.14492 196.5
[M+Na-2H]- 397.10574 190.3
[M]+ 376.13052 190.3
[M]- 376.13162 190.3
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

No patent data available for this compound.