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 171.5
[M+Na]+ 316.16720 179.2
[M-H]- 292.17070 177.2
[M+NH4]+ 311.21180 189.2
[M+K]+ 332.14114 172.7
[M+H-H2O]+ 276.17524 163.6
[M+HCOO]- 338.17618 187.1
[M+CH3COO]- 352.19183 182.1
[M+Na-2H]- 314.15265 172.3
[M]+ 293.17743 168.6
[M]- 293.17853 168.6
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.