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]+ 336.23218 185.2
[M+Na]+ 358.21412 190.9
[M-H]- 334.21762 191.1
[M+NH4]+ 353.25872 201.3
[M+K]+ 374.18806 184.4
[M+H-H2O]+ 318.22216 175.8
[M+HCOO]- 380.22310 201.1
[M+CH3COO]- 394.23875 194.6
[M+Na-2H]- 356.19957 185.2
[M]+ 335.22435 184.4
[M]- 335.22545 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.