CID 10146

Nuciferine

Structural Information

Molecular Formula

C₁₉H₂₁NO₂

SMILES

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1

InChIKey

ORJVQPIHKOARKV-OAHLLOKOSA-N

Compound name

(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 120
References: 1551
Patents: 295.15723 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.16451	170.1
[M+Na]+	318.14645	178.2
[M-H]-	294.14995	173.9
[M+NH4]+	313.19105	187.7
[M+K]+	334.12039	173.4
[M+H-H2O]+	278.15449	161.1
[M+HCOO]-	340.15543	185.0
[M+CH3COO]-	354.17108	180.8
[M+Na-2H]-	316.13190	175.8
[M]+	295.15668	172.1
[M]-	295.15778	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe