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)fluoro-3-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

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]+ 264.090926 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

No literature data available for this compound.

Patent stripe

patents stripe