CID 3050117

(3r-cis)-4-(3-(3-ethyl-4-piperidinyl)propyl)quinoline (e)-2-butenedioate (2:3)

Structural Information

Molecular Formula
C19H26N2
SMILES
CC[C@H]1CNCC[C@H]1CCCC2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C19H26N2/c1-2-15-14-20-12-10-16(15)6-5-7-17-11-13-21-19-9-4-3-8-18(17)19/h3-4,8-9,11,13,15-16,20H,2,5-7,10,12,14H2,1H3/t15-,16+/m0/s1
InChIKey
PZQXDOVDDRYONQ-JKSUJKDBSA-N
Compound name
4-[3-[(3R,4R)-3-ethylpiperidin-4-yl]propyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.2096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 172.2
[M+Na]+ 305.19882 186.2
[M+NH4]+ 300.24342 181.2
[M+K]+ 321.17276 176.4
[M-H]- 281.20232 176.7
[M+Na-2H]- 303.18427 179.3
[M]+ 282.20905 175.5
[M]- 282.21015 175.5
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