CID 55848

Brn 5753630

Structural Information

Molecular Formula
C21H25N
SMILES
CCCN1CCC[C@@H]2[C@H]1C3=CC=CC=C3[C@@H]2C4=CC=CC=C4
InChI
InChI=1S/C21H25N/c1-2-14-22-15-8-13-19-20(16-9-4-3-5-10-16)17-11-6-7-12-18(17)21(19)22/h3-7,9-12,19-21H,2,8,13-15H2,1H3/t19-,20-,21+/m0/s1
InChIKey
RMFDPFVJWNFOJK-PCCBWWKXSA-N
Compound name
(4aS,5S,9bS)-5-phenyl-1-propyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.1987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 172.3
[M+Na]+ 314.18792 178.2
[M-H]- 290.19142 178.2
[M+NH4]+ 309.23252 190.0
[M+K]+ 330.16186 171.5
[M+H-H2O]+ 274.19596 163.3
[M+HCOO]- 336.19690 188.8
[M+CH3COO]- 350.21255 182.4
[M+Na-2H]- 312.17337 174.0
[M]+ 291.19815 169.0
[M]- 291.19925 169.0
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.