CID 55853

Brn 4705742

Structural Information

Molecular Formula
C19H22N2O
SMILES
COC1=CC2=C(C=C1)[C@@H]3[C@H]([C@@H]2C4=CC=C(C=C4)N)CCCN3
InChI
InChI=1S/C19H22N2O/c1-22-14-8-9-15-17(11-14)18(12-4-6-13(20)7-5-12)16-3-2-10-21-19(15)16/h4-9,11,16,18-19,21H,2-3,10,20H2,1H3/t16-,18-,19+/m0/s1
InChIKey
KNVPOZMDXCHACQ-YTQUADARSA-N
Compound name
4-[(4aS,5R,9bS)-7-methoxy-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

294.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 169.2
[M+Na]+ 317.16244 175.6
[M-H]- 293.16594 174.1
[M+NH4]+ 312.20704 185.9
[M+K]+ 333.13638 168.9
[M+H-H2O]+ 277.17048 161.1
[M+HCOO]- 339.17142 185.6
[M+CH3COO]- 353.18707 179.2
[M+Na-2H]- 315.14789 171.1
[M]+ 294.17267 164.1
[M]- 294.17377 164.1
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.