CID 122452488

1699748-93-0

Structural Information

Molecular Formula
C15H9FN4
SMILES
C1=CC(=NC=C1C2=NC3=C(C=C2)C4=C(N3)C=CN=C4)[18F]
InChI
InChI=1S/C15H9FN4/c16-14-4-1-9(7-18-14)12-3-2-10-11-8-17-6-5-13(11)20-15(10)19-12/h1-8H,(H,19,20)/i16-1
InChIKey
FDMOHTOITMTGNG-GKTGUEEDSA-N
Compound name
11-(6-(18F)fluoranylpyridin-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.08365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09093 157.9
[M+Na]+ 286.07287 170.4
[M-H]- 262.07637 159.7
[M+NH4]+ 281.11747 172.3
[M+K]+ 302.04681 162.2
[M+H-H2O]+ 246.08091 147.0
[M+HCOO]- 308.08185 175.6
[M+CH3COO]- 322.09750 169.4
[M+Na-2H]- 284.05832 166.0
[M]+ 263.08310 157.5
[M]- 263.08420 157.5
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

patents stripe