CID 5271989

1h,5h,10h-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-7a-hydroxy-, (7ar,13ar)-

Structural Information

Molecular Formula
C15H24N2O2
SMILES
C1C[C@@H]2C3CCCN4C3[C@@](CCC4)(CN2C(=O)C1)O
InChI
InChI=1S/C15H24N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h11-12,14,19H,1-10H2/t11?,12-,14?,15-/m1/s1
InChIKey
VQYBAEAOOJBSTR-HTLISINNSA-N
Compound name
(2R,9R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.18378 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 164.0
[M+Na]+ 287.17300 166.9
[M-H]- 263.17650 162.7
[M+NH4]+ 282.21760 181.6
[M+K]+ 303.14694 162.5
[M+H-H2O]+ 247.18104 154.7
[M+HCOO]- 309.18198 168.8
[M+CH3COO]- 323.19763 171.3
[M+Na-2H]- 285.15845 167.4
[M]+ 264.18323 153.7
[M]- 264.18433 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.