CID 68023575

1231763-32-8

Structural Information

Molecular Formula
C20H25N3O
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)N
InChI
InChI=1S/C20H25N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3/t13?,14?,19?,20-/m0/s1
InChIKey
RIEKOKLABHBCGI-LHFMAAMQSA-N
Compound name
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

323.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 175.8
[M+Na]+ 346.18899 178.7
[M-H]- 322.19249 172.5
[M+NH4]+ 341.23359 191.6
[M+K]+ 362.16293 173.3
[M+H-H2O]+ 306.19703 166.3
[M+HCOO]- 368.19797 182.0
[M+CH3COO]- 382.21362 182.3
[M+Na-2H]- 344.17444 182.8
[M]+ 323.19922 175.0
[M]- 323.20032 175.0
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