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

26
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

literature stripe

Patent stripe

patents stripe