CID 55864

Brn 5758470

Structural Information

Molecular Formula
C20H23NO
SMILES
CC1=CC=C(C=C1)[C@H]2[C@@H]3CCCN([C@@H]3C4=C2C=C(C=C4)O)C
InChI
InChI=1S/C20H23NO/c1-13-5-7-14(8-6-13)19-17-4-3-11-21(2)20(17)16-10-9-15(22)12-18(16)19/h5-10,12,17,19-20,22H,3-4,11H2,1-2H3/t17-,19-,20+/m0/s1
InChIKey
SPIAGQKDAKNOMM-YSIASYRMSA-N
Compound name
(4aS,5R,9bS)-1-methyl-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.4
[M+Na]+ 316.16720 186.0
[M+NH4]+ 311.21180 181.5
[M+K]+ 332.14114 178.7
[M-H]- 292.17070 176.7
[M+Na-2H]- 314.15265 177.1
[M]+ 293.17743 175.1
[M]- 293.17853 175.1
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.