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

12
Patents

342.19434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.201616 178.4
[M+Na]+ 365.183558 187.0
[M-H]- 341.187064 180.3
[M+NH4]+ 360.228163 191.3
[M+K]+ 381.157498 179.7
[M+H-H2O]+ 325.191600 164.1
[M+HCOO]- 387.192541 189.7
[M+CH3COO]- 401.208191 224.6
[M+Na-2H]- 363.169006 179.8
[M]+ 342.19379142 174.5
[M]- 342.19488858 174.5
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