CID 64780203

1-(4-formylphenyl)-n,n-dimethyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-15(2)13(18)12-7-8-16(14-12)11-5-3-10(9-17)4-6-11/h3-9H,1-2H3

InChIKey

BJFLULQJPIGWED-UHFFFAOYSA-N

Compound name

1-(4-formylphenyl)-N,N-dimethylpyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.10077 Da
Monoisotopic Mass: 1.1
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]+	244.108046	153.6
[M+Na]+	266.089988	161.9
[M-H]-	242.093494	159.7
[M+NH4]+	261.134593	170.4
[M+K]+	282.063928	159.9
[M+H-H2O]+	226.098030	144.8
[M+HCOO]-	288.098971	177.9
[M+CH3COO]-	302.114621	197.4
[M+Na-2H]-	264.075436	156.9
[M]+	243.10022142	156.2
[M]-	243.10131858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.