CID 376537

152490-69-2

Structural Information

Molecular Formula
C23H20O4
SMILES
COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=C(O3)C=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C23H20O4/c1-24-16-7-10-19-21(11-16)26-14-20-18-9-8-17(12-22(18)27-23(19)20)25-13-15-5-3-2-4-6-15/h2-12,20,23H,13-14H2,1H3/t20-,23-/m1/s1
InChIKey
HJOWUMBTYPBLOG-NFBKMPQASA-N
Compound name
(6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.13617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14345 182.8
[M+Na]+ 383.12539 190.8
[M-H]- 359.12889 193.2
[M+NH4]+ 378.16999 197.2
[M+K]+ 399.09933 188.1
[M+H-H2O]+ 343.13343 174.3
[M+HCOO]- 405.13437 199.7
[M+CH3COO]- 419.15002 193.9
[M+Na-2H]- 381.11084 187.9
[M]+ 360.13562 187.0
[M]- 360.13672 187.0
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.