CID 3025195

102259-72-3

Structural Information

Molecular Formula
C18H28N2O2
SMILES
COC1=C(C=C2C(=C1)CCCN2CCN3CCCCC3)OC
InChI
InChI=1S/C18H28N2O2/c1-21-17-13-15-7-6-10-20(16(15)14-18(17)22-2)12-11-19-8-4-3-5-9-19/h13-14H,3-12H2,1-2H3
InChIKey
OULVSOSXVSNNRI-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.222376 176.1
[M+Na]+ 327.204318 179.6
[M-H]- 303.207824 178.9
[M+NH4]+ 322.248923 188.9
[M+K]+ 343.178258 175.8
[M+H-H2O]+ 287.212360 165.7
[M+HCOO]- 349.213301 189.2
[M+CH3COO]- 363.228951 206.2
[M+Na-2H]- 325.189766 177.7
[M]+ 304.21455142 172.9
[M]- 304.21564858 172.9
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.