CID 84495

14528-48-4

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)Cl
InChI
InChI=1S/C20H23ClN2O/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,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
InChIKey
KQRKDUSVAAFOOA-WZBLMQSHSA-N
Compound name
4-[(R)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1499 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.157176 179.3
[M+Na]+ 365.139118 183.8
[M-H]- 341.142624 176.4
[M+NH4]+ 360.183723 195.8
[M+K]+ 381.113058 177.3
[M+H-H2O]+ 325.147160 170.2
[M+HCOO]- 387.148101 180.8
[M+CH3COO]- 401.163751 186.1
[M+Na-2H]- 363.124566 185.8
[M]+ 342.14935142 182.0
[M]- 342.15044858 182.0
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.