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]+ 265.191056 164.0
[M+Na]+ 287.172998 166.9
[M-H]- 263.176504 162.7
[M+NH4]+ 282.217603 181.6
[M+K]+ 303.146938 162.5
[M+H-H2O]+ 247.181040 154.7
[M+HCOO]- 309.181981 168.8
[M+CH3COO]- 323.197631 171.3
[M+Na-2H]- 285.158446 167.4
[M]+ 264.18323142 153.7
[M]- 264.18432858 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.