CID 3042522

Sct-3

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCOC1=C(C=C2C3CC(=O)C(CN3CCC2=C1)CCC#N)OCC
InChI
InChI=1S/C20H26N2O3/c1-3-24-19-10-14-7-9-22-13-15(6-5-8-21)18(23)12-17(22)16(14)11-20(19)25-4-2/h10-11,15,17H,3-7,9,12-13H2,1-2H3
InChIKey
WSOLXOBNHSHKFH-UHFFFAOYSA-N
Compound name
3-(9,10-diethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.19434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.7
[M+Na]+ 365.18356 195.9
[M+NH4]+ 360.22816 188.6
[M+K]+ 381.15750 184.9
[M-H]- 341.18706 179.2
[M+Na-2H]- 363.16901 184.1
[M]+ 342.19379 183.8
[M]- 342.19489 183.8
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