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

94
Patents

397.21432 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.22160 198.9
[M+Na]+ 420.20354 207.8
[M-H]- 396.20704 203.3
[M+NH4]+ 415.24814 209.7
[M+K]+ 436.17748 202.7
[M+H-H2O]+ 380.21158 187.2
[M+HCOO]- 442.21252 218.4
[M+CH3COO]- 456.22817 231.1
[M+Na-2H]- 418.18899 198.5
[M]+ 397.21377 206.0
[M]- 397.21487 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.