CID 200535

N-benzylnornuciferine

Structural Information

Molecular Formula
C25H25NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC5=CC=CC=C5)OC
InChI
InChI=1S/C25H25NO2/c1-27-22-15-19-12-13-26(16-17-8-4-3-5-9-17)21-14-18-10-6-7-11-20(18)24(23(19)21)25(22)28-2/h3-11,15,21H,12-14,16H2,1-2H3/t21-/m1/s1
InChIKey
UKAGIIJDEHDBQG-OAQYLSRUSA-N
Compound name
(6aR)-6-benzyl-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 191.9
[M+Na]+ 394.17776 209.4
[M+NH4]+ 389.22236 202.4
[M+K]+ 410.15170 198.0
[M-H]- 370.18126 198.7
[M+Na-2H]- 392.16321 199.0
[M]+ 371.18799 196.8
[M]- 371.18909 196.8
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.