CID 118753079

Chembl3526583

Structural Information

Molecular Formula

C₂₂H₂₇FN₄O₃

SMILES

CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)CO)C

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)25-27-17(14-28)12-15(3)24-22(19)27/h6-9,12,28H,4-5,10-11,13-14H2,1-3H3

InChIKey

XWKKOXKPHNQLLO-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-7-(hydroxymethyl)-5-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	415.214006	201.6
[M+Na]+	437.195948	209.7
[M-H]-	413.199454	204.7
[M+NH4]+	432.240553	210.9
[M+K]+	453.169888	204.7
[M+H-H2O]+	397.203990	190.2
[M+HCOO]-	459.204931	219.8
[M+CH3COO]-	473.220581	230.9
[M+Na-2H]-	435.181396	201.0
[M]+	414.20618142	208.3
[M]-	414.20727858	208.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.