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 179.3
[M+Na]+ 346.17776 186.7
[M-H]- 322.18126 186.1
[M+NH4]+ 341.22236 196.3
[M+K]+ 362.15170 181.5
[M+H-H2O]+ 306.18580 170.6
[M+HCOO]- 368.18674 196.2
[M+CH3COO]- 382.20239 189.9
[M+Na-2H]- 344.16321 180.0
[M]+ 323.18799 179.8
[M]- 323.18909 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.