CID 118753043

6-hydroxy dpa-714

Structural Information

Molecular Formula

C₂₂H₂₇FN₄O₃

SMILES

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

InChI

InChI=1S/C22H27FN4O3/c1-5-26(6-2)19(28)13-18-20(16-7-9-17(10-8-16)30-12-11-23)25-27-15(4)21(29)14(3)24-22(18)27/h7-10,29H,5-6,11-13H2,1-4H3

InChIKey

OLHQKFBSYAZTLL-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-6-hydroxy-5,7-dimethylpyrazolo[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: 2.9
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	202.2
[M+Na]+	437.195948	211.2
[M-H]-	413.199454	205.7
[M+NH4]+	432.240553	211.7
[M+K]+	453.169888	206.2
[M+H-H2O]+	397.203990	191.1
[M+HCOO]-	459.204931	220.3
[M+CH3COO]-	473.220581	232.2
[M+Na-2H]-	435.181396	200.8
[M]+	414.20618142	209.3
[M]-	414.20727858	209.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.