CID 44257492

6-methoxyhomopterocarpin

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1C2C(C3=C(O1)C=C(C=C3)OC)OC4=C2C=CC(=C4)OC
InChI
InChI=1S/C18H18O5/c1-19-10-4-6-12-14(8-10)22-17-13-7-5-11(20-2)9-15(13)23-18(21-3)16(12)17/h4-9,16-18H,1-3H3
InChIKey
KGZXHPWOBPVKDK-UHFFFAOYSA-N
Compound name
3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 169.0
[M+Na]+ 337.10464 178.7
[M-H]- 313.10814 177.1
[M+NH4]+ 332.14924 186.3
[M+K]+ 353.07858 178.0
[M+H-H2O]+ 297.11268 162.6
[M+HCOO]- 359.11362 186.6
[M+CH3COO]- 373.12927 181.7
[M+Na-2H]- 335.09009 174.8
[M]+ 314.11487 176.4
[M]- 314.11597 176.4
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.