CID 23582365

[18f]dpa-714

Structural Information

Molecular Formula
C22H27FN4O2
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCC[18F])C)C
InChI
InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3/i23-1
InChIKey
FLZZFWBNYJNHMY-VNRZBHCFSA-N
Compound name
N,N-diethyl-2-[2-[4-(2-(18F)fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

122
References

98
Patents

397.21432 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.221596 198.9
[M+Na]+ 420.203538 207.8
[M-H]- 396.207044 203.3
[M+NH4]+ 415.248143 209.7
[M+K]+ 436.177478 202.7
[M+H-H2O]+ 380.211580 187.2
[M+HCOO]- 442.212521 218.4
[M+CH3COO]- 456.228171 231.1
[M+Na-2H]- 418.188986 198.5
[M]+ 397.21377142 206.0
[M]- 397.21486858 206.0
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