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]+ 255.09282 154.9
[M+Na]+ 277.07476 164.5
[M-H]- 253.07826 159.9
[M+NH4]+ 272.11936 171.1
[M+K]+ 293.04870 159.0
[M+H-H2O]+ 237.08280 145.3
[M+HCOO]- 299.08374 176.9
[M+CH3COO]- 313.09939 167.1
[M+Na-2H]- 275.06021 162.3
[M]+ 254.08499 153.4
[M]- 254.08609 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.