CID 134427539

(18f)fptmp

Structural Information

Molecular Formula
C16H21FN4O3
SMILES
COC1=CC(=CC(=C1OCCC[18F])OC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C16H21FN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)/i17-1
InChIKey
ZDPLXPQTCYRGBC-SJPDSGJFSA-N
Compound name
5-[[4-(3-(18F)fluoranylpropoxy)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

335.1623 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16958 179.2
[M+Na]+ 358.15152 190.3
[M+NH4]+ 353.19612 183.8
[M+K]+ 374.12546 184.6
[M-H]- 334.15502 180.8
[M+Na-2H]- 356.13697 184.3
[M]+ 335.16175 180.9
[M]- 335.16285 180.9
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