CID 215614

N-propargylnornuciferine

Structural Information

Molecular Formula
C21H21NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC#C)OC
InChI
InChI=1S/C21H21NO2/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/h1,5-8,13,17H,9-12H2,2-3H3/t17-/m1/s1
InChIKey
BLPDRJXCUPQBHU-QGZVFWFLSA-N
Compound name
(6aR)-1,2-dimethoxy-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 180.5
[M+Na]+ 342.14645 195.2
[M+NH4]+ 337.19105 186.5
[M+K]+ 358.12039 182.6
[M-H]- 318.14995 176.1
[M+Na-2H]- 340.13190 181.4
[M]+ 319.15668 180.8
[M]- 319.15778 180.8
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.