CID 101795

Homopterocarpin

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)OC
InChI
InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m0/s1
InChIKey
VPGIGLKLCFOWDN-YOEHRIQHSA-N
Compound name
(6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

25
Patents

284.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 160.9
[M+Na]+ 307.094078 170.5
[M-H]- 283.097584 168.9
[M+NH4]+ 302.138683 179.3
[M+K]+ 323.068018 169.2
[M+H-H2O]+ 267.102120 154.7
[M+HCOO]- 329.103061 178.9
[M+CH3COO]- 343.118711 174.0
[M+Na-2H]- 305.079526 167.8
[M]+ 284.10431142 166.2
[M]- 284.10540858 166.2
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

patents stripe