CID 19620408

4-amino-n,1-diethyl-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula

C₈H₁₄N₄O

SMILES

CCNC(=O)C1=C(C=NN1CC)N

InChI

InChI=1S/C8H14N4O/c1-3-10-8(13)7-6(9)5-11-12(7)4-2/h5H,3-4,9H2,1-2H3,(H,10,13)

InChIKey

OXTSWTYFSHETKF-UHFFFAOYSA-N

Compound name

4-amino-N,1-diethylpyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 182.11676 Da
Monoisotopic Mass: 0.4
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]+	183.124036	140.5
[M+Na]+	205.105978	148.4
[M-H]-	181.109484	141.6
[M+NH4]+	200.150583	159.1
[M+K]+	221.079918	146.7
[M+H-H2O]+	165.114020	133.0
[M+HCOO]-	227.114961	164.4
[M+CH3COO]-	241.130611	186.5
[M+Na-2H]-	203.091426	143.9
[M]+	182.11621142	140.0
[M]-	182.11730858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe