CID 94145

Quinamine

Structural Information

Molecular Formula
C19H24N2O2
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O
InChI
InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13-,14-,17-,18+,19-/m0/s1
InChIKey
ALNKTVLUDWIWIH-HLQCWHFUSA-N
Compound name
(3aS,8bR)-3a-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

54
Patents

312.18378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 166.3
[M+Na]+ 335.17300 171.1
[M-H]- 311.17650 163.2
[M+NH4]+ 330.21760 188.6
[M+K]+ 351.14694 164.8
[M+H-H2O]+ 295.18104 158.0
[M+HCOO]- 357.18198 168.6
[M+CH3COO]- 371.19763 173.6
[M+Na-2H]- 333.15845 171.3
[M]+ 312.18323 164.1
[M]- 312.18433 164.1
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