CID 390686

Nsc688319

Structural Information

Molecular Formula
C20H27N2O
SMILES
C[N+]12CCCCC1C(CCC2)COC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C20H27N2O/c1-22-13-3-2-10-18(22)17(9-6-14-22)15-23-19-11-4-7-16-8-5-12-21-20(16)19/h4-5,7-8,11-12,17-18H,2-3,6,9-10,13-15H2,1H3/q+1
InChIKey
SDWYKDOJNBOHCC-UHFFFAOYSA-N
Compound name
8-[(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.21234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21962 178.0
[M+Na]+ 334.20156 181.7
[M-H]- 310.20506 181.7
[M+NH4]+ 329.24616 192.8
[M+K]+ 350.17550 170.6
[M+H-H2O]+ 294.20960 169.1
[M+HCOO]- 356.21054 189.3
[M+CH3COO]- 370.22619 199.9
[M+Na-2H]- 332.18701 184.9
[M]+ 311.21179 170.7
[M]- 311.21289 170.7
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.