CID 3049883

3-(3-oxobutyl)-1,2,3,3a,4,5-hexahydro-6h-indolo(3,2,1-de)(1,5)naphthyridin-6-one

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC(=O)CCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
InChI
InChI=1S/C18H20N2O2/c1-12(21)8-10-19-11-9-14-13-4-2-3-5-15(13)20-17(22)7-6-16(19)18(14)20/h2-5,16H,6-11H2,1H3
InChIKey
ZIHSLWQWTCJEDO-UHFFFAOYSA-N
Compound name
6-(3-oxobutyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.15247 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.4
[M+Na]+ 319.14169 182.4
[M+NH4]+ 314.18629 178.1
[M+K]+ 335.11563 176.4
[M-H]- 295.14519 170.9
[M+Na-2H]- 317.12714 171.6
[M]+ 296.15192 171.6
[M]- 296.15302 171.6
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