CID 24839458

Brn 5760762

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCN([C@@H]3C4=C2C=C(C=C4)OC)C
InChI
InChI=1S/C21H25NO/c1-14-6-8-15(9-7-14)20-18-5-4-12-22(2)21(18)17-11-10-16(23-3)13-19(17)20/h6-11,13,18,20-21H,4-5,12H2,1-3H3/t18-,20+,21+/m0/s1
InChIKey
MOGWQMLFHYNUGV-CEWLAPEOSA-N
Compound name
(4aS,5S,9bS)-7-methoxy-1-methyl-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 175.6
[M+Na]+ 330.18282 190.6
[M+NH4]+ 325.22742 186.0
[M+K]+ 346.15676 182.7
[M-H]- 306.18632 181.4
[M+Na-2H]- 328.16827 181.6
[M]+ 307.19305 179.6
[M]- 307.19415 179.6
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.