CID 41169

Nornuciferine

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=C(C2=C3[C@H](CC4=CC=CC=C42)NCCC3=C1)OC
InChI
InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/t14-/m0/s1
InChIKey
QQKAHDMMPBQDAC-AWEZNQCLSA-N
Compound name
(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

193
Patents

281.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 164.8
[M+Na]+ 304.13079 172.0
[M-H]- 280.13429 167.0
[M+NH4]+ 299.17539 182.0
[M+K]+ 320.10473 166.6
[M+H-H2O]+ 264.13883 156.2
[M+HCOO]- 326.13977 178.6
[M+CH3COO]- 340.15542 175.0
[M+Na-2H]- 302.11624 171.4
[M]+ 281.14102 164.3
[M]- 281.14212 164.3
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