CID 454893

Ghl.pd_mitscher_leg0.156

Structural Information

Molecular Formula
C28H28O4
SMILES
CC(=CCC1=CC2=C(C=C1OCC3=CC=CC=C3)OC4C2COC5=C4C=CC(=C5)OC)C
InChI
InChI=1S/C28H28O4/c1-18(2)9-10-20-13-23-24-17-31-26-14-21(29-3)11-12-22(26)28(24)32-27(23)15-25(20)30-16-19-7-5-4-6-8-19/h4-9,11-15,24,28H,10,16-17H2,1-3H3
InChIKey
JRWOUKPHCMPPQM-UHFFFAOYSA-N
Compound name
3-methoxy-8-(3-methylbut-2-enyl)-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

428.19876 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.206036 207.2
[M+Na]+ 451.187978 213.6
[M-H]- 427.191484 217.0
[M+NH4]+ 446.232583 218.8
[M+K]+ 467.161918 210.0
[M+H-H2O]+ 411.196020 198.1
[M+HCOO]- 473.196961 221.3
[M+CH3COO]- 487.212611 216.1
[M+Na-2H]- 449.173426 207.6
[M]+ 428.19821142 211.9
[M]- 428.19930858 211.9
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.