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]+ 294.18526 171.1
[M+Na]+ 316.16720 177.9
[M-H]- 292.17070 176.4
[M+NH4]+ 311.21180 188.4
[M+K]+ 332.14114 171.3
[M+H-H2O]+ 276.17524 162.9
[M+HCOO]- 338.17618 186.8
[M+CH3COO]- 352.19183 181.4
[M+Na-2H]- 314.15265 172.6
[M]+ 293.17743 167.7
[M]- 293.17853 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.