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 175.7
[M+Na]+ 349.13006 182.9
[M-H]- 325.13356 177.9
[M+NH4]+ 344.17466 186.8
[M+K]+ 365.10400 177.2
[M+H-H2O]+ 309.13810 164.8
[M+HCOO]- 371.13904 193.6
[M+CH3COO]- 385.15469 210.5
[M+Na-2H]- 347.11551 181.1
[M]+ 326.14029 175.7
[M]- 326.14139 175.7
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