CID 44357927

Brn 5763757

Structural Information

Molecular Formula
C21H25NO2
SMILES
CN1CCC[C@@H]2[C@H]1C3=CC(=C(C=C3[C@H]2C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C21H25NO2/c1-22-11-7-10-15-20(14-8-5-4-6-9-14)16-12-18(23-2)19(24-3)13-17(16)21(15)22/h4-6,8-9,12-13,15,20-21H,7,10-11H2,1-3H3/t15-,20-,21-/m0/s1
InChIKey
SBXNQBHATYRDEG-JHVJFLLYSA-N
Compound name
(4aS,5R,9bS)-7,8-dimethoxy-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 178.9
[M+Na]+ 346.17776 193.3
[M+NH4]+ 341.22236 188.6
[M+K]+ 362.15170 186.0
[M-H]- 322.18126 184.2
[M+Na-2H]- 344.16321 184.4
[M]+ 323.18799 182.6
[M]- 323.18909 182.6
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

No patent data available for this compound.