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 180.5
[M+Na]+ 344.19848 186.0
[M-H]- 320.20198 185.4
[M+NH4]+ 339.24308 196.5
[M+K]+ 360.17242 179.5
[M+H-H2O]+ 304.20652 172.1
[M+HCOO]- 366.20746 194.3
[M+CH3COO]- 380.22311 189.7
[M+Na-2H]- 342.18393 179.7
[M]+ 321.20871 177.1
[M]- 321.20981 177.1
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.