CID 44358235

Brn 5761843

Structural Information

Molecular Formula
C22H27NO
SMILES
CC(C)C1=CC=C(C=C1)[C@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)OC
InChI
InChI=1S/C22H27NO/c1-14(2)15-6-8-16(9-7-15)21-19-5-4-12-23-22(19)18-11-10-17(24-3)13-20(18)21/h6-11,13-14,19,21-23H,4-5,12H2,1-3H3/t19-,21-,22+/m0/s1
InChIKey
OLQQQPDTHCIYAT-ILWGZMRPSA-N
Compound name
(4aS,5R,9bS)-7-methoxy-5-(4-propan-2-ylphenyl)-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

321.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 180.3
[M+Na]+ 344.19848 193.7
[M+NH4]+ 339.24308 190.0
[M+K]+ 360.17242 186.6
[M-H]- 320.20198 185.3
[M+Na-2H]- 342.18393 185.3
[M]+ 321.20871 183.7
[M]- 321.20981 183.7
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.