CID 3067301

Brn 4700057

Structural Information

Molecular Formula
C20H23NO
SMILES
CN1CCC[C@H]2[C@@H]1C3=CC=CC=C3[C@@H]2C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H23NO/c1-21-13-5-8-18-19(14-9-11-15(22-2)12-10-14)16-6-3-4-7-17(16)20(18)21/h3-4,6-7,9-12,18-20H,5,8,13H2,1-2H3/t18-,19+,20+/m1/s1
InChIKey
LZRCRJPJEARXSF-AABGKKOBSA-N
Compound name
(4aR,5S,9bR)-5-(4-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 171.2
[M+Na]+ 316.16720 186.0
[M+NH4]+ 311.21180 181.7
[M+K]+ 332.14114 178.2
[M-H]- 292.17070 177.0
[M+Na-2H]- 314.15265 177.7
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.