CID 3049896

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

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C[C@H](CN1CCC2=C3[C@H]1CCC(=O)N3C4=CC=CC=C24)O
InChI
InChI=1S/C17H20N2O2/c1-11(20)10-18-9-8-13-12-4-2-3-5-14(12)19-16(21)7-6-15(18)17(13)19/h2-5,11,15,20H,6-10H2,1H3/t11-,15-/m1/s1
InChIKey
GEOJUSNZNNFHAE-IAQYHMDHSA-N
Compound name
(5R)-6-[(2R)-2-hydroxypropyl]-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

284.15247 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 166.6
[M+Na]+ 307.141688 174.2
[M-H]- 283.145194 167.9
[M+NH4]+ 302.186293 184.3
[M+K]+ 323.115628 168.8
[M+H-H2O]+ 267.149730 158.8
[M+HCOO]- 329.150671 179.5
[M+CH3COO]- 343.166321 176.7
[M+Na-2H]- 305.127136 169.6
[M]+ 284.15192142 166.0
[M]- 284.15301858 166.0
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.