CID 91810702

Thk-5351 f-18

Structural Information

Molecular Formula
C18H18FN3O2
SMILES
CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](C[18F])O
InChI
InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1/i19-1
InChIKey
DLVXFZWSPCOWSN-DHZJDKHOSA-N
Compound name
(2S)-1-(18F)fluoranyl-3-[2-[6-(methylamino)pyridin-3-yl]quinolin-6-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

67
References

118
Patents

326.14084 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14812 176.4
[M+Na]+ 349.13006 189.9
[M+NH4]+ 344.17466 183.0
[M+K]+ 365.10400 182.4
[M-H]- 325.13356 179.0
[M+Na-2H]- 347.11551 183.8
[M]+ 326.14029 179.0
[M]- 326.14139 179.0
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