CID 20054873

2-[2-[(2s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1h-indol-3-yl]ethanol

Structural Information

Molecular Formula
C19H24N2O
SMILES
C=C[C@H]1CN2CCC1C[C@H]2C3=C(C4=CC=CC=C4N3)CCO
InChI
InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14?,18-/m0/s1
InChIKey
YAUKSCGKZYUZRH-LWINWCPBSA-N
Compound name
2-[2-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

296.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 168.6
[M+Na]+ 319.178088 173.5
[M-H]- 295.181594 164.3
[M+NH4]+ 314.222693 187.1
[M+K]+ 335.152028 166.3
[M+H-H2O]+ 279.186130 161.2
[M+HCOO]- 341.187071 175.4
[M+CH3COO]- 355.202721 176.2
[M+Na-2H]- 317.163536 174.6
[M]+ 296.18832142 168.7
[M]- 296.18941858 168.7
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

patents stripe