CID 58525066

Stk16-in-1

Structural Information

Molecular Formula
C17H12FN3O
SMILES
CC1=C(C=CC(=C1)N2C(=O)C=CC3=CN=C4C(=C32)C=CN4)F
InChI
InChI=1S/C17H12FN3O/c1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-9H,1H3,(H,19,20)
InChIKey
WQNRDXHKVSKUPI-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

293.09644 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10372 166.9
[M+Na]+ 316.08566 180.3
[M-H]- 292.08916 170.5
[M+NH4]+ 311.13026 181.9
[M+K]+ 332.05960 172.1
[M+H-H2O]+ 276.09370 156.8
[M+HCOO]- 338.09464 185.5
[M+CH3COO]- 352.11029 178.7
[M+Na-2H]- 314.07111 172.3
[M]+ 293.09589 168.1
[M]- 293.09699 168.1
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

patents stripe