CID 24895172

Dpa-714

Structural Information

Molecular Formula
C22H27FN4O2
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)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
InChIKey
FLZZFWBNYJNHMY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

120
References

58
Patents

398.2118 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21908 199.1
[M+Na]+ 421.20102 208.0
[M-H]- 397.20452 203.5
[M+NH4]+ 416.24562 209.8
[M+K]+ 437.17496 202.9
[M+H-H2O]+ 381.20906 187.4
[M+HCOO]- 443.21000 218.6
[M+CH3COO]- 457.22565 231.1
[M+Na-2H]- 419.18647 198.6
[M]+ 398.21125 206.2
[M]- 398.21235 206.2
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