CID 118753068

Lha4v5x6tc

Structural Information

Molecular Formula

C₂₀H₂₃FN₄O₃

SMILES

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

InChI

InChI=1S/C20H23FN4O3/c1-3-22-18(27)11-17-19(14-4-6-16(7-5-14)28-9-8-21)24-25-13(2)10-15(12-26)23-20(17)25/h4-7,10,26H,3,8-9,11-12H2,1-2H3,(H,22,27)

InChIKey

XVEMLJMKAADARM-UHFFFAOYSA-N

Compound name

N-ethyl-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: 386.1754 Da
Monoisotopic Mass: 1.4
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]+	387.182676	192.5
[M+Na]+	409.164618	201.4
[M-H]-	385.168124	194.5
[M+NH4]+	404.209223	202.3
[M+K]+	425.138558	195.4
[M+H-H2O]+	369.172660	181.5
[M+HCOO]-	431.173601	210.9
[M+CH3COO]-	445.189251	221.9
[M+Na-2H]-	407.150066	193.6
[M]+	386.17485142	197.3
[M]-	386.17594858	197.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.