CID 38437

N-n-propylnornuciferine

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCCN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC
InChI
InChI=1S/C21H25NO2/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/h5-8,13,17H,4,9-12H2,1-3H3
InChIKey
VYOSYAAPYZTTTO-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

323.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 178.6
[M+Na]+ 346.17776 194.0
[M+NH4]+ 341.22236 188.6
[M+K]+ 362.15170 184.1
[M-H]- 322.18126 182.6
[M+Na-2H]- 344.16321 182.8
[M]+ 323.18799 182.2
[M]- 323.18909 182.2
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