CID 200669

N-ethylnornuciferine

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC
InChI
InChI=1S/C20H23NO2/c1-4-21-10-9-14-12-17(22-2)20(23-3)19-15-8-6-5-7-13(15)11-16(21)18(14)19/h5-8,12,16H,4,9-11H2,1-3H3/t16-/m1/s1
InChIKey
FLFPLQJTRXTVDH-MRXNPFEDSA-N
Compound name
(6aR)-6-ethyl-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 174.9
[M+Na]+ 332.16210 182.4
[M-H]- 308.16560 178.4
[M+NH4]+ 327.20670 191.8
[M+K]+ 348.13604 177.4
[M+H-H2O]+ 292.17014 165.6
[M+HCOO]- 354.17108 189.3
[M+CH3COO]- 368.18673 185.0
[M+Na-2H]- 330.14755 179.9
[M]+ 309.17233 177.1
[M]- 309.17343 177.1
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.