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

1
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

patents stripe