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]+ 324.195816 179.3
[M+Na]+ 346.177758 186.7
[M-H]- 322.181264 186.1
[M+NH4]+ 341.222363 196.3
[M+K]+ 362.151698 181.5
[M+H-H2O]+ 306.185800 170.6
[M+HCOO]- 368.186741 196.2
[M+CH3COO]- 382.202391 189.9
[M+Na-2H]- 344.163206 180.0
[M]+ 323.18799142 179.8
[M]- 323.18908858 179.8
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.