CID 454886

Ghl.pd_mitscher_leg0.604

Structural Information

Molecular Formula
C27H22O5
SMILES
COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OCC5=CC6=CC=CC=C6C=C5)O
InChI
InChI=1S/C27H22O5/c1-29-19-8-9-20-24(11-19)31-15-22-21-12-23(28)26(13-25(21)32-27(20)22)30-14-16-6-7-17-4-2-3-5-18(17)10-16/h2-13,22,27-28H,14-15H2,1H3
InChIKey
OAAGGNKGWAQYDG-UHFFFAOYSA-N
Compound name
3-methoxy-9-(naphthalen-2-ylmethoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.14673 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.15401 198.8
[M+Na]+ 449.13595 206.9
[M-H]- 425.13945 209.0
[M+NH4]+ 444.18055 210.6
[M+K]+ 465.10989 203.4
[M+H-H2O]+ 409.14399 189.4
[M+HCOO]- 471.14493 212.2
[M+CH3COO]- 485.16058 208.2
[M+Na-2H]- 447.12140 202.6
[M]+ 426.14618 203.2
[M]- 426.14728 203.2
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.