CID 215613

N-allylnornuciferine

Structural Information

Molecular Formula
C21H23NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC=C)OC
InChI
InChI=1S/C21H23NO2/c1-4-10-22-11-9-15-13-18(23-2)21(24-3)20-16-8-6-5-7-14(16)12-17(22)19(15)20/h4-8,13,17H,1,9-12H2,2-3H3/t17-/m1/s1
InChIKey
AYSSSOUCEZIHII-QGZVFWFLSA-N
Compound name
(6aR)-1,2-dimethoxy-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 177.5
[M+Na]+ 344.16210 193.0
[M+NH4]+ 339.20670 187.3
[M+K]+ 360.13604 183.0
[M-H]- 320.16560 181.4
[M+Na-2H]- 342.14755 181.7
[M]+ 321.17233 181.0
[M]- 321.17343 181.0
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.