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 152.5
[M+Na]+ 267.09042 162.2
[M-H]- 243.09392 152.9
[M+NH4]+ 262.13502 171.9
[M+K]+ 283.06436 155.7
[M+H-H2O]+ 227.09846 144.1
[M+HCOO]- 289.09940 166.4
[M+CH3COO]- 303.11505 163.6
[M+Na-2H]- 265.07587 157.5
[M]+ 244.10065 149.2
[M]- 244.10175 149.2
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