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]+ 310.191376 171.1
[M+Na]+ 332.173318 174.2
[M-H]- 308.176824 166.8
[M+NH4]+ 327.217923 186.9
[M+K]+ 348.147258 168.3
[M+H-H2O]+ 292.181360 162.3
[M+HCOO]- 354.182301 176.3
[M+CH3COO]- 368.197951 177.5
[M+Na-2H]- 330.158766 178.5
[M]+ 309.18355142 168.5
[M]- 309.18464858 168.5
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.