CID 3050113

Quinoline, 4-(3-(3-ethyl-4-piperidinyl)propyl)-6-methoxy-, dihydrochloride, (3r-cis)-

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC[C@H]1CNCC[C@H]1CCCC2=C3C=C(C=CC3=NC=C2)OC
InChI
InChI=1S/C20H28N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h7-8,10,12-13,15-16,21H,3-6,9,11,14H2,1-2H3/t15-,16+/m0/s1
InChIKey
NVZVXLGGQCKMPP-JKSUJKDBSA-N
Compound name
4-[3-[(3R,4R)-3-ethylpiperidin-4-yl]propyl]-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

312.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 179.4
[M+Na]+ 335.209368 183.9
[M-H]- 311.212874 181.3
[M+NH4]+ 330.253973 191.4
[M+K]+ 351.183308 177.6
[M+H-H2O]+ 295.217410 169.2
[M+HCOO]- 357.218351 193.0
[M+CH3COO]- 371.234001 206.8
[M+Na-2H]- 333.194816 181.6
[M]+ 312.21960142 176.5
[M]- 312.22069858 176.5
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