CID 118753259

Chembl3527118

Structural Information

Molecular Formula
C22H27FN4O3
SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)CO
InChI
InChI=1S/C22H27FN4O3/c1-4-26(5-2)20(29)13-19-21(16-6-8-18(9-7-16)30-11-10-23)25-27-15(3)12-17(14-28)24-22(19)27/h6-9,12,28H,4-5,10-11,13-14H2,1-3H3
InChIKey
AVLWPJPOFCYXDB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-(hydroxymethyl)-7-methylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.20673 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21401 201.6
[M+Na]+ 437.19595 209.7
[M-H]- 413.19945 204.7
[M+NH4]+ 432.24055 210.9
[M+K]+ 453.16989 204.7
[M+H-H2O]+ 397.20399 190.2
[M+HCOO]- 459.20493 219.8
[M+CH3COO]- 473.22058 230.9
[M+Na-2H]- 435.18140 201.0
[M]+ 414.20618 208.3
[M]- 414.20728 208.3
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

No patent data available for this compound.