CID 171366

54708-52-0

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O₂

SMILES

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

InChI

InChI=1S/C11H10ClN3O2/c1-17-10-6-9(11(13)16)14-15(10)8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,13,16)

InChIKey

YBOMUEOEXMFVBB-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-5-methoxypyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 251.04616 Da
Monoisotopic Mass: 2.0
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]+	252.053436	152.8
[M+Na]+	274.035378	163.0
[M-H]-	250.038884	157.2
[M+NH4]+	269.079983	169.5
[M+K]+	290.009318	158.6
[M+H-H2O]+	234.043420	145.1
[M+HCOO]-	296.044361	171.6
[M+CH3COO]-	310.060011	193.8
[M+Na-2H]-	272.020826	155.4
[M]+	251.04561142	155.6
[M]-	251.04670858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe