CID 5319733

Methylnissolin

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)OC
InChI
InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3
InChIKey
UOVGCLXUTLXAEC-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

300.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 165.2
[M+Na]+ 323.08898 179.3
[M+NH4]+ 318.13358 174.2
[M+K]+ 339.06292 175.0
[M-H]- 299.09248 170.6
[M+Na-2H]- 321.07443 167.5
[M]+ 300.09921 168.9
[M]- 300.10031 168.9
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