CID 145722629

(18f)mni-960

Structural Information

Molecular Formula
C15H9FN4
SMILES
C1=CC(=NC2=C1C3=C(N2)C=CN=C3)C4=CC(=NC=C4)[18F]
InChI
InChI=1S/C15H9FN4/c16-14-7-9(3-6-18-14)12-2-1-10-11-8-17-5-4-13(11)20-15(10)19-12/h1-8H,(H,19,20)/i16-1
InChIKey
JUPWIBZGGFVBCU-GKTGUEEDSA-N
Compound name
11-(2-(18F)fluoro-4-pyridinyl)-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

10
References

6
Patents

263.08365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.090926 157.9
[M+Na]+ 286.072868 170.4
[M-H]- 262.076374 159.7
[M+NH4]+ 281.117473 172.3
[M+K]+ 302.046808 162.2
[M+H-H2O]+ 246.080910 147.0
[M+HCOO]- 308.081851 175.6
[M+CH3COO]- 322.097501 169.4
[M+Na-2H]- 284.058316 166.0
[M]+ 263.08310142 157.5
[M]- 263.08419858 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

literature stripe

Patent stripe

patents stripe