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]+ 322.180156 178.1
[M+Na]+ 344.162098 185.5
[M-H]- 320.165604 181.4
[M+NH4]+ 339.206703 194.5
[M+K]+ 360.136038 179.7
[M+H-H2O]+ 304.170140 168.7
[M+HCOO]- 366.171081 192.4
[M+CH3COO]- 380.186731 187.9
[M+Na-2H]- 342.147546 182.7
[M]+ 321.17233142 180.0
[M]- 321.17342858 180.0
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.