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 192.0
[M+Na]+ 394.17776 198.3
[M-H]- 370.18126 198.0
[M+NH4]+ 389.22236 205.4
[M+K]+ 410.15170 191.8
[M+H-H2O]+ 354.18580 180.2
[M+HCOO]- 416.18674 205.7
[M+CH3COO]- 430.20239 200.5
[M+Na-2H]- 392.16321 196.3
[M]+ 371.18799 192.7
[M]- 371.18909 192.7
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.