CID 3050154

Quinoline, 4-(3-(3-ethenyl-4-piperidinyl)propyl)-, dihydrochloride, (3r-cis)-

Structural Information

Molecular Formula
C19H24N2
SMILES
C=C[C@H]1CNCC[C@H]1CCCC2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C19H24N2/c1-2-15-14-20-12-10-16(15)6-5-7-17-11-13-21-19-9-4-3-8-18(17)19/h2-4,8-9,11,13,15-16,20H,1,5-7,10,12,14H2/t15-,16+/m0/s1
InChIKey
OETRFNJKTXFEHK-JKSUJKDBSA-N
Compound name
4-[3-[(3R,4R)-3-ethenylpiperidin-4-yl]propyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.19394 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 170.1
[M+Na]+ 303.183158 174.5
[M-H]- 279.186664 171.8
[M+NH4]+ 298.227763 183.1
[M+K]+ 319.157098 167.2
[M+H-H2O]+ 263.191200 160.1
[M+HCOO]- 325.192141 184.1
[M+CH3COO]- 339.207791 178.6
[M+Na-2H]- 301.168606 173.5
[M]+ 280.19339142 164.3
[M]- 280.19448858 164.3
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