CID 44357929

Brn 5762770

Structural Information

Molecular Formula
C20H23NO2
SMILES
COC1=C(C=C2[C@@H]3[C@@H](CCCN3)[C@@H](C2=C1)C4=CC=CC=C4)OC
InChI
InChI=1S/C20H23NO2/c1-22-17-11-15-16(12-18(17)23-2)20-14(9-6-10-21-20)19(15)13-7-4-3-5-8-13/h3-5,7-8,11-12,14,19-21H,6,9-10H2,1-2H3/t14-,19-,20-/m0/s1
InChIKey
BGQXKZRKKPYQFP-GKCIPKSASA-N
Compound name
(4aS,5R,9bS)-7,8-dimethoxy-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 174.2
[M+Na]+ 332.162098 180.7
[M-H]- 308.165604 179.4
[M+NH4]+ 327.206703 190.7
[M+K]+ 348.136038 174.8
[M+H-H2O]+ 292.170140 165.8
[M+HCOO]- 354.171081 189.9
[M+CH3COO]- 368.186731 184.2
[M+Na-2H]- 330.147546 175.8
[M]+ 309.17233142 172.2
[M]- 309.17342858 172.2
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.