CID 90666167

Pf-4776548

Structural Information

Molecular Formula
C18H16FN3O3
SMILES
COC1=C(C=CC(=C1)F)CN2C=CC3=C4CCN(C(=O)C4=NC=C32)O
InChI
InChI=1S/C18H16FN3O3/c1-25-16-8-12(19)3-2-11(16)10-21-6-4-13-14-5-7-22(24)18(23)17(14)20-9-15(13)21/h2-4,6,8-9,24H,5,7,10H2,1H3
InChIKey
OYKZKGBMHATGTA-UHFFFAOYSA-N
Compound name
3-[(4-fluoro-2-methoxyphenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

341.11758 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12486 179.6
[M+Na]+ 364.10680 190.8
[M-H]- 340.11030 182.6
[M+NH4]+ 359.15140 192.4
[M+K]+ 380.08074 184.3
[M+H-H2O]+ 324.11484 169.1
[M+HCOO]- 386.11578 195.3
[M+CH3COO]- 400.13143 189.8
[M+Na-2H]- 362.09225 182.0
[M]+ 341.11703 181.4
[M]- 341.11813 181.4
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.