CID 821348

Nuciferoline

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C=C(C=C4)O)OC)OC
InChI
InChI=1S/C19H21NO3/c1-20-7-6-12-9-16(22-2)19(23-3)18-14-10-13(21)5-4-11(14)8-15(20)17(12)18/h4-5,9-10,15,21H,6-8H2,1-3H3/t15-/m1/s1
InChIKey
UPZUXWDNFBPUNP-OAHLLOKOSA-N
Compound name
(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.8
[M+Na]+ 334.14135 182.1
[M-H]- 310.14485 176.6
[M+NH4]+ 329.18595 190.3
[M+K]+ 350.11529 177.4
[M+H-H2O]+ 294.14939 165.3
[M+HCOO]- 356.15033 187.3
[M+CH3COO]- 370.16598 184.0
[M+Na-2H]- 332.12680 178.5
[M]+ 311.15158 175.9
[M]- 311.15268 175.9
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

No patent data available for this compound.