CID 25202987

Chebi:80688

Structural Information

Molecular Formula
C20H22N2O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)C(=O)C3C[C@H]4CCN3C[C@@H]4C=C
InChI
InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14+,19?/m0/s1
InChIKey
SRFCUPVBYYAMIL-PFCANICASA-N
Compound name
[(4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 174.5
[M+Na]+ 345.15734 178.2
[M-H]- 321.16084 171.8
[M+NH4]+ 340.20194 190.7
[M+K]+ 361.13128 173.0
[M+H-H2O]+ 305.16538 164.7
[M+HCOO]- 367.16632 180.6
[M+CH3COO]- 381.18197 181.6
[M+Na-2H]- 343.14279 181.8
[M]+ 322.16757 175.8
[M]- 322.16867 175.8
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.