CID 55856

Brn 4703159

Structural Information

Molecular Formula
C20H23NO
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)OC
InChI
InChI=1S/C20H23NO/c1-13-5-7-14(8-6-13)19-17-4-3-11-21-20(17)16-10-9-15(22-2)12-18(16)19/h5-10,12,17,19-21H,3-4,11H2,1-2H3/t17-,19+,20+/m0/s1
InChIKey
JCXQGCWQZGBYBF-DFQSSKMNSA-N
Compound name
(4aS,5S,9bS)-7-methoxy-5-(4-methylphenyl)-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

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 171.1
[M+Na]+ 316.167198 177.9
[M-H]- 292.170704 176.4
[M+NH4]+ 311.211803 188.4
[M+K]+ 332.141138 171.3
[M+H-H2O]+ 276.175240 162.9
[M+HCOO]- 338.176181 186.8
[M+CH3COO]- 352.191831 181.4
[M+Na-2H]- 314.152646 172.6
[M]+ 293.17743142 167.7
[M]- 293.17852858 167.7
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.