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 177.5
[M+Na]+ 342.14645 188.4
[M-H]- 318.14995 178.9
[M+NH4]+ 337.19105 192.0
[M+K]+ 358.12039 177.8
[M+H-H2O]+ 302.15449 163.2
[M+HCOO]- 364.15543 186.9
[M+CH3COO]- 378.17108 185.8
[M+Na-2H]- 340.13190 180.8
[M]+ 319.15668 173.7
[M]- 319.15778 173.7
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.