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 171.1
[M+Na]+ 305.19882 175.3
[M-H]- 281.20232 172.8
[M+NH4]+ 300.24342 184.2
[M+K]+ 321.17276 168.6
[M+H-H2O]+ 265.20686 161.1
[M+HCOO]- 327.20780 185.0
[M+CH3COO]- 341.22345 179.6
[M+Na-2H]- 303.18427 174.6
[M]+ 282.20905 166.1
[M]- 282.21015 166.1
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