CID 168445338

2143936-31-4

Structural Information

Molecular Formula
C19H23N3O
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)N)O
InChI
InChI=1S/C19H23N3O/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17/h2-5,7,10,12-13,18-19,23H,1,6,8-9,11,20H2/t12-,13-,18+,19-/m0/s1
InChIKey
PPQWXNWLIDJACB-WXPXUSHHSA-N
Compound name
(S)-(6-aminoquinolin-4-yl)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 170.7
[M+Na]+ 332.17332 182.4
[M+NH4]+ 327.21792 180.4
[M+K]+ 348.14726 174.3
[M-H]- 308.17682 171.2
[M+Na-2H]- 330.15877 169.5
[M]+ 309.18355 172.4
[M]- 309.18465 172.4
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.