CID 135666663

Imidazole-4-carboxamide, 5-(3,3-dipentyl-1-triazeno)-, monohydrochloride

Structural Information

Molecular Formula
C14H26N6O
SMILES
CCCCCN(CCCCC)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C14H26N6O/c1-3-5-7-9-20(10-8-6-4-2)19-18-14-12(13(15)21)16-11-17-14/h11H,3-10H2,1-2H3,(H2,15,21)(H,16,17)/b19-18+
InChIKey
SNKXYMGBEUWAMD-VHEBQXMUSA-N
Compound name
4-[(E)-(dipentylamino)diazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.2168 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22408 171.6
[M+Na]+ 317.20602 174.9
[M-H]- 293.20952 174.2
[M+NH4]+ 312.25062 185.8
[M+K]+ 333.17996 173.7
[M+H-H2O]+ 277.21406 161.2
[M+HCOO]- 339.21500 197.7
[M+CH3COO]- 353.23065 218.7
[M+Na-2H]- 315.19147 173.7
[M]+ 294.21625 173.8
[M]- 294.21735 173.8
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.