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 171.1
[M+Na]+ 332.17332 174.2
[M-H]- 308.17682 166.8
[M+NH4]+ 327.21792 186.9
[M+K]+ 348.14726 168.3
[M+H-H2O]+ 292.18136 162.3
[M+HCOO]- 354.18230 176.3
[M+CH3COO]- 368.19795 177.5
[M+Na-2H]- 330.15877 178.5
[M]+ 309.18355 168.5
[M]- 309.18465 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.