CID 101270

Imidazole-4-carboxamide, 5-(3-ethyl-1-triazenyl)-

Structural Information

Molecular Formula

C₆H₁₀N₆O

SMILES

CCN=NNC1=C(NC=N1)C(=O)N

InChI

InChI=1S/C6H10N6O/c1-2-10-12-11-6-4(5(7)13)8-3-9-6/h3H,2H2,1H3,(H2,7,13)(H,8,9)(H,10,11)

InChIKey

IZFBCYAIRQMECD-UHFFFAOYSA-N

Compound name

4-(2-ethyliminohydrazinyl)-1H-imidazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.09161 Da
Monoisotopic Mass: 0.9
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]+	183.098886	135.3
[M+Na]+	205.080828	141.9
[M-H]-	181.084334	137.7
[M+NH4]+	200.125433	153.3
[M+K]+	221.054768	141.1
[M+H-H2O]+	165.088870	126.5
[M+HCOO]-	227.089811	163.5
[M+CH3COO]-	241.105461	191.4
[M+Na-2H]-	203.066276	142.0
[M]+	182.09106142	133.3
[M]-	182.09215858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe