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]+ 429.20604 207.2
[M+Na]+ 451.18798 213.6
[M-H]- 427.19148 217.0
[M+NH4]+ 446.23258 218.8
[M+K]+ 467.16192 210.0
[M+H-H2O]+ 411.19602 198.1
[M+HCOO]- 473.19696 221.3
[M+CH3COO]- 487.21261 216.1
[M+Na-2H]- 449.17343 207.6
[M]+ 428.19821 211.9
[M]- 428.19931 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.