CID 54569038

1h-pyrazole-3,5-dicarboxamide

Structural Information

Molecular Formula

C₅H₆N₄O₂

SMILES

C1=C(NN=C1C(=O)N)C(=O)N

InChI

InChI=1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)

InChIKey

ZVXTUAKXYXKULZ-UHFFFAOYSA-N

Compound name

1H-pyrazole-3,5-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 154.04907 Da
Monoisotopic Mass: -1.4
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]+	155.056346	129.5
[M+Na]+	177.038288	137.1
[M-H]-	153.041794	128.9
[M+NH4]+	172.082893	147.6
[M+K]+	193.012228	135.4
[M+H-H2O]+	137.046330	122.4
[M+HCOO]-	199.047271	151.6
[M+CH3COO]-	213.062921	176.2
[M+Na-2H]-	175.023736	132.5
[M]+	154.04852142	124.8
[M]-	154.04961858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe