CID 43448876

5-(4-fluorophenoxy)isoquinolin-8-amine

Structural Information

Molecular Formula
C15H11FN2O
SMILES
C1=CC(=CC=C1OC2=C3C=CN=CC3=C(C=C2)N)F
InChI
InChI=1S/C15H11FN2O/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9H,17H2
InChIKey
UGLMJPBIBIZJJZ-UHFFFAOYSA-N
Compound name
5-(4-fluorophenoxy)isoquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08554 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.092816 154.9
[M+Na]+ 277.074758 164.5
[M-H]- 253.078264 159.9
[M+NH4]+ 272.119363 171.1
[M+K]+ 293.048698 159.0
[M+H-H2O]+ 237.082800 145.3
[M+HCOO]- 299.083741 176.9
[M+CH3COO]- 313.099391 167.1
[M+Na-2H]- 275.060206 162.3
[M]+ 254.08499142 153.4
[M]- 254.08608858 153.4
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.