CID 10489397

Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula

C₉H₈ClN₃O₂

SMILES

CCOC(=O)C1=C(N2C(=CC=N2)N=C1)Cl

InChI

InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2H2,1H3

InChIKey

JHEDDGFTBNFOOK-UHFFFAOYSA-N

Compound name

ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 225.0305 Da
Monoisotopic Mass: 1.5
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]+	226.03778	143.6
[M+Na]+	248.01972	158.0
[M+NH4]+	243.06432	151.0
[M+K]+	263.99366	153.6
[M-H]-	224.02322	143.5
[M+Na-2H]-	246.00517	149.7
[M]+	225.02995	145.8
[M]-	225.03105	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe