CID 211458

Sct-1

Structural Information

Molecular Formula
C18H22N2O3
SMILES
COC1=C(C=C2C3CC(=O)C(CN3CCC2=C1)CCC#N)OC
InChI
InChI=1S/C18H22N2O3/c1-22-17-8-12-5-7-20-11-13(4-3-6-19)16(21)10-15(20)14(12)9-18(17)23-2/h8-9,13,15H,3-5,7,10-11H2,1-2H3
InChIKey
QLSCNQCATINUIJ-UHFFFAOYSA-N
Compound name
3-(9,10-dimethoxy-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

3
Patents

314.16306 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 176.6
[M+Na]+ 337.15228 188.2
[M+NH4]+ 332.19688 180.9
[M+K]+ 353.12622 177.6
[M-H]- 313.15578 171.3
[M+Na-2H]- 335.13773 176.5
[M]+ 314.16251 175.8
[M]- 314.16361 175.8
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