CID 200669

Noraporphine, 1,2-dimethoxy-6-ethyl-

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]+ 310.180156 174.9
[M+Na]+ 332.162098 182.4
[M-H]- 308.165604 178.4
[M+NH4]+ 327.206703 191.8
[M+K]+ 348.136038 177.4
[M+H-H2O]+ 292.170140 165.6
[M+HCOO]- 354.171081 189.3
[M+CH3COO]- 368.186731 185.0
[M+Na-2H]- 330.147546 179.9
[M]+ 309.17233142 177.1
[M]- 309.17342858 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.