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]+ 281.20122 170.1
[M+Na]+ 303.18316 174.5
[M-H]- 279.18666 171.8
[M+NH4]+ 298.22776 183.1
[M+K]+ 319.15710 167.2
[M+H-H2O]+ 263.19120 160.1
[M+HCOO]- 325.19214 184.1
[M+CH3COO]- 339.20779 178.6
[M+Na-2H]- 301.16861 173.5
[M]+ 280.19339 164.3
[M]- 280.19449 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