CID 12885663

Brn 4707094

Structural Information

Molecular Formula
C22H27NO
SMILES
CCCCOC1=CC=C(C=C1)[C@@H]2[C@H]3CCCN[C@H]3C4=CC=CC=C24
InChI
InChI=1S/C22H27NO/c1-2-3-15-24-17-12-10-16(11-13-17)21-18-7-4-5-8-19(18)22-20(21)9-6-14-23-22/h4-5,7-8,10-13,20-23H,2-3,6,9,14-15H2,1H3/t20-,21+,22+/m1/s1
InChIKey
FKVJZEWHJURNAD-FSSWDIPSSA-N
Compound name
(4aR,5S,9bR)-5-(4-butoxyphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 180.9
[M+Na]+ 344.19848 194.3
[M+NH4]+ 339.24308 190.7
[M+K]+ 360.17242 186.2
[M-H]- 320.20198 186.0
[M+Na-2H]- 342.18393 186.5
[M]+ 321.20871 184.4
[M]- 321.20981 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.