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]+ 297.19615 173.8
[M+Na]+ 319.17809 179.1
[M-H]- 295.18159 175.9
[M+NH4]+ 314.22269 186.5
[M+K]+ 335.15203 172.5
[M+H-H2O]+ 279.18613 164.0
[M+HCOO]- 341.18707 188.0
[M+CH3COO]- 355.20272 182.5
[M+Na-2H]- 317.16354 176.6
[M]+ 296.18832 169.9
[M]- 296.18942 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