CID 12885666

Brn 4706798

Structural Information

Molecular Formula
C23H29NO
SMILES
CCCCOC1=CC=C(C=C1)[C@@H]2[C@H]3CCCN([C@H]3C4=CC=CC=C24)C
InChI
InChI=1S/C23H29NO/c1-3-4-16-25-18-13-11-17(12-14-18)22-19-8-5-6-9-20(19)23-21(22)10-7-15-24(23)2/h5-6,8-9,11-14,21-23H,3-4,7,10,15-16H2,1-2H3/t21-,22+,23+/m1/s1
InChIKey
LBWRHJNPYLEEKR-VJBWXMMDSA-N
Compound name
(4aR,5S,9bR)-5-(4-butoxyphenyl)-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

335.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.2
[M+Na]+ 358.214118 190.9
[M-H]- 334.217624 191.1
[M+NH4]+ 353.258723 201.3
[M+K]+ 374.188058 184.4
[M+H-H2O]+ 318.222160 175.8
[M+HCOO]- 380.223101 201.1
[M+CH3COO]- 394.238751 194.6
[M+Na-2H]- 356.199566 185.2
[M]+ 335.22435142 184.4
[M]- 335.22544858 184.4
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.