CID 3041681

Pz-249

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O₃

SMILES

COC1=CC(=NN1C2=CC(=CC=C2)Cl)C(=O)NCCO

InChI

InChI=1S/C13H14ClN3O3/c1-20-12-8-11(13(19)15-5-6-18)16-17(12)10-4-2-3-9(14)7-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,19)

InChIKey

XJOCXJRRQCMGND-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-N-(2-hydroxyethyl)-5-methoxypyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.07236 Da
Monoisotopic Mass: 1.8
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]+	296.079636	164.3
[M+Na]+	318.061578	173.1
[M-H]-	294.065084	167.7
[M+NH4]+	313.106183	178.8
[M+K]+	334.035518	168.4
[M+H-H2O]+	278.069620	156.4
[M+HCOO]-	340.070561	181.9
[M+CH3COO]-	354.086211	199.4
[M+Na-2H]-	316.047026	166.7
[M]+	295.07181142	168.3
[M]-	295.07290858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe