CID 3062083

Quinoline, 4-(2-(3-ethenyl-4-piperidinyl)ethyl)-6-methoxy-, dihydrochloride, (3r-cis)-

Structural Information

Molecular Formula
C19H24N2O
SMILES
COC1=CC2=C(C=CN=C2C=C1)CC[C@@H]3CCNC[C@@H]3C=C
InChI
InChI=1S/C19H24N2O/c1-3-14-13-20-10-8-15(14)4-5-16-9-11-21-19-7-6-17(22-2)12-18(16)19/h3,6-7,9,11-12,14-15,20H,1,4-5,8,10,13H2,2H3/t14-,15+/m0/s1
InChIKey
FHWBOWSHNLAZBG-LSDHHAIUSA-N
Compound name
4-[2-[(3R,4R)-3-ethenylpiperidin-4-yl]ethyl]-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 173.8
[M+Na]+ 319.178088 179.1
[M-H]- 295.181594 175.9
[M+NH4]+ 314.222693 186.5
[M+K]+ 335.152028 172.5
[M+H-H2O]+ 279.186130 164.0
[M+HCOO]- 341.187071 188.0
[M+CH3COO]- 355.202721 182.5
[M+Na-2H]- 317.163536 176.6
[M]+ 296.18832142 169.9
[M]- 296.18941858 169.9
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

patents stripe