CID 146591762

Pf-07059013

Structural Information

Molecular Formula
C19H16FN5O2
SMILES
C[C@@H](C1=C(C=CC(=O)N1)N2C=CC=N2)OC3=C(N=C4C=CC(=CC4=C3)F)N
InChI
InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
InChIKey
CLEFVPILGAPOTG-NSHDSACASA-N
Compound name
6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

29
Patents

365.1288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13608 184.9
[M+Na]+ 388.11802 195.7
[M-H]- 364.12152 189.1
[M+NH4]+ 383.16262 193.4
[M+K]+ 404.09196 187.8
[M+H-H2O]+ 348.12606 173.0
[M+HCOO]- 410.12700 202.6
[M+CH3COO]- 424.14265 194.4
[M+Na-2H]- 386.10347 187.8
[M]+ 365.12825 185.2
[M]- 365.12935 185.2
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

No patent data available for this compound.