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

24
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 179.3
[M+Na]+ 358.15152 187.6
[M-H]- 334.15502 181.7
[M+NH4]+ 353.19612 189.7
[M+K]+ 374.12546 183.4
[M+H-H2O]+ 318.15956 168.3
[M+HCOO]- 380.16050 200.6
[M+CH3COO]- 394.17615 217.1
[M+Na-2H]- 356.13697 181.0
[M]+ 335.16175 181.8
[M]- 335.16285 181.8
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