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]+ 285.196146 170.5
[M+Na]+ 307.178088 175.9
[M-H]- 283.181594 172.8
[M+NH4]+ 302.222693 183.7
[M+K]+ 323.152028 170.1
[M+H-H2O]+ 267.186130 160.8
[M+HCOO]- 329.187071 184.9
[M+CH3COO]- 343.202721 179.6
[M+Na-2H]- 305.163536 173.8
[M]+ 284.18832142 167.0
[M]- 284.18941858 167.0
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.