CID 3062085

80221-57-4

Structural Information

Molecular Formula
C18H24N2O
SMILES
C[C@H]1CNCC[C@@H]1CCC2=C3C=C(C=CC3=NC=C2)OC
InChI
InChI=1S/C18H24N2O/c1-13-12-19-9-7-14(13)3-4-15-8-10-20-18-6-5-16(21-2)11-17(15)18/h5-6,8,10-11,13-14,19H,3-4,7,9,12H2,1-2H3/t13-,14-/m0/s1
InChIKey
NXNMRGGXGGPNAF-KBPBESRZSA-N
Compound name
6-methoxy-4-[2-[(3R,4S)-3-methylpiperidin-4-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 170.8
[M+Na]+ 307.17809 184.9
[M+NH4]+ 302.22269 179.4
[M+K]+ 323.15203 176.0
[M-H]- 283.18159 174.9
[M+Na-2H]- 305.16354 177.5
[M]+ 284.18832 174.0
[M]- 284.18942 174.0
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

No patent data available for this compound.