CID 12382989

54708-51-9

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O₂

SMILES

CN(C)C(=O)C1=NN(C(=C1)OC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H14ClN3O2/c1-16(2)13(18)11-8-12(19-3)17(15-11)10-6-4-5-9(14)7-10/h4-8H,1-3H3

InChIKey

XVCQBERSJBUIEB-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-5-methoxy-N,N-dimethylpyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4
Patents: 279.07745 Da
Monoisotopic Mass: 2.6
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]+	280.08473	160.7
[M+Na]+	302.06667	174.0
[M+NH4]+	297.11127	168.0
[M+K]+	318.04061	169.7
[M-H]-	278.07017	163.5
[M+Na-2H]-	300.05212	167.9
[M]+	279.07690	163.5
[M]-	279.07800	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe