CID 3049884

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

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C[C@H](CCN1CCC2=C3[C@H]1CCC(=O)N3C4=CC=CC=C24)O
InChI
InChI=1S/C18H22N2O2/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/h2-5,12,16,21H,6-11H2,1H3/t12-,16-/m1/s1
InChIKey
FCBPYUUVZGDICL-MLGOLLRUSA-N
Compound name
(5R)-6-[(3R)-3-hydroxybutyl]-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

0
Patents

298.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 170.5
[M+Na]+ 321.15734 183.0
[M+NH4]+ 316.20194 179.1
[M+K]+ 337.13128 177.4
[M-H]- 297.16084 171.8
[M+Na-2H]- 319.14279 172.2
[M]+ 298.16757 172.5
[M]- 298.16867 172.5
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

No patent data available for this compound.