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

8
Patents

312.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 179.4
[M+Na]+ 335.20937 183.9
[M-H]- 311.21287 181.3
[M+NH4]+ 330.25397 191.4
[M+K]+ 351.18331 177.6
[M+H-H2O]+ 295.21741 169.2
[M+HCOO]- 357.21835 193.0
[M+CH3COO]- 371.23400 206.8
[M+Na-2H]- 333.19482 181.6
[M]+ 312.21960 176.5
[M]- 312.22070 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