CID 449685

Fddnp f-18

Structural Information

Molecular Formula
C18H16FN3
SMILES
CC(=C(C#N)C#N)C1=CC2=C(C=C1)C=C(C=C2)N(C)CC[18F]
InChI
InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3/i19-1
InChIKey
IAVCEBMLYVGBLA-AWDFDDCISA-N
Compound name
2-[1-[6-[2-(18F)fluoranylethyl(methyl)amino]naphthalen-2-yl]ethylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

67
References

821
Patents

292.13535 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14263 179.7
[M+Na]+ 315.12457 188.6
[M-H]- 291.12807 182.4
[M+NH4]+ 310.16917 190.4
[M+K]+ 331.09851 181.9
[M+H-H2O]+ 275.13261 163.0
[M+HCOO]- 337.13355 189.7
[M+CH3COO]- 351.14920 233.6
[M+Na-2H]- 313.11002 178.6
[M]+ 292.13480 170.9
[M]- 292.13590 170.9
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