CID 3049890

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

Structural Information

Molecular Formula
C14H13FN2O
SMILES
C1CC(=O)N2C3=C(C=C(C=C3)F)C4=C2C1NCC4
InChI
InChI=1S/C14H13FN2O/c15-8-1-3-12-10(7-8)9-5-6-16-11-2-4-13(18)17(12)14(9)11/h1,3,7,11,16H,2,4-6H2
InChIKey
VRFLPSPJKMGMGR-UHFFFAOYSA-N
Compound name
12-fluoro-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

1
Patents

244.1012 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10848 153.2
[M+Na]+ 267.09042 166.2
[M+NH4]+ 262.13502 162.3
[M+K]+ 283.06436 160.3
[M-H]- 243.09392 153.7
[M+Na-2H]- 265.07587 155.9
[M]+ 244.10065 155.1
[M]- 244.10175 155.1
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