CID 135408596

5-(3,3-diethyl-1-triazeno)-1h-imidazole-4-carboxamide monohydrochloride

Structural Information

Molecular Formula
C8H14N6O
SMILES
CCN(CC)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C8H14N6O/c1-3-14(4-2)13-12-8-6(7(9)15)10-5-11-8/h5H,3-4H2,1-2H3,(H2,9,15)(H,10,11)/b13-12+
InChIKey
PAJVOAFPMNSQQL-OUKQBFOZSA-N
Compound name
4-[(E)-diethylaminodiazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.12291 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13019 145.3
[M+Na]+ 233.11213 151.2
[M-H]- 209.11563 148.9
[M+NH4]+ 228.15673 162.9
[M+K]+ 249.08607 151.4
[M+H-H2O]+ 193.12017 136.0
[M+HCOO]- 255.12111 173.4
[M+CH3COO]- 269.13676 200.7
[M+Na-2H]- 231.09758 150.3
[M]+ 210.12236 145.3
[M]- 210.12346 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.