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
4
Annotation Hits

128
References

1569
Patents

295.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe