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]+ 310.18016 174.2
[M+Na]+ 332.16210 180.7
[M-H]- 308.16560 179.4
[M+NH4]+ 327.20670 190.7
[M+K]+ 348.13604 174.8
[M+H-H2O]+ 292.17014 165.8
[M+HCOO]- 354.17108 189.9
[M+CH3COO]- 368.18673 184.2
[M+Na-2H]- 330.14755 175.8
[M]+ 309.17233 172.2
[M]- 309.17343 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.