CID 55865

Brn 4711527

Structural Information

Molecular Formula
C20H24N2O2
SMILES
COC1=C(C=C2[C@@H]3[C@@H](CCCN3)[C@@H](C2=C1)C4=CC=C(C=C4)N)OC
InChI
InChI=1S/C20H24N2O2/c1-23-17-10-15-16(11-18(17)24-2)20-14(4-3-9-22-20)19(15)12-5-7-13(21)8-6-12/h5-8,10-11,14,19-20,22H,3-4,9,21H2,1-2H3/t14-,19-,20-/m0/s1
InChIKey
UTQZYUJKGSTGHD-GKCIPKSASA-N
Compound name
4-[(4aS,5R,9bS)-7,8-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 177.4
[M+Na]+ 347.17300 184.0
[M-H]- 323.17650 182.5
[M+NH4]+ 342.21760 193.1
[M+K]+ 363.14694 177.9
[M+H-H2O]+ 307.18104 169.2
[M+HCOO]- 369.18198 193.6
[M+CH3COO]- 383.19763 187.1
[M+Na-2H]- 345.15845 178.2
[M]+ 324.18323 174.4
[M]- 324.18433 174.4
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.