CID 5315336

(+)-xanthoplanine

Structural Information

Molecular Formula
C21H26NO4
SMILES
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC)C
InChI
InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1
InChIKey
FGUCOPALAZXICJ-UHFFFAOYSA-O
Compound name
1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1862 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19348 183.3
[M+Na]+ 379.17542 200.2
[M+NH4]+ 374.22002 194.7
[M+K]+ 395.14936 190.6
[M-H]- 355.17892 187.9
[M+Na-2H]- 377.16087 188.4
[M]+ 356.18565 187.8
[M]- 356.18675 187.8
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

No patent data available for this compound.