CID 44555286

Mk-3328

Structural Information

Molecular Formula
C14H9FN4O
SMILES
CN1C=CC2=CC(=CN=C21)C3=NC4=C(O3)N=C(C=C4)F
InChI
InChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3
InChIKey
WYQHKOHCTMNFAU-UHFFFAOYSA-N
Compound name
5-fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

16
Patents

268.07605 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08333 156.8
[M+Na]+ 291.06527 171.9
[M-H]- 267.06877 161.8
[M+NH4]+ 286.10987 172.8
[M+K]+ 307.03921 166.9
[M+H-H2O]+ 251.07331 147.2
[M+HCOO]- 313.07425 177.9
[M+CH3COO]- 327.08990 170.5
[M+Na-2H]- 289.05072 162.9
[M]+ 268.07550 162.6
[M]- 268.07660 162.6
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