CID 135538389

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

Structural Information

Molecular Formula
C12H22N6O
SMILES
CCCCN(CCCC)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C12H22N6O/c1-3-5-7-18(8-6-4-2)17-16-12-10(11(13)19)14-9-15-12/h9H,3-8H2,1-2H3,(H2,13,19)(H,14,15)/b17-16+
InChIKey
CDUPNWMGNOZCTH-WUKNDPDISA-N
Compound name
4-[(E)-(dibutylamino)diazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.18552 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19280 162.9
[M+Na]+ 289.17474 167.1
[M-H]- 265.17824 165.8
[M+NH4]+ 284.21934 178.3
[M+K]+ 305.14868 166.3
[M+H-H2O]+ 249.18278 152.9
[M+HCOO]- 311.18372 189.7
[M+CH3COO]- 325.19937 212.8
[M+Na-2H]- 287.16019 165.9
[M]+ 266.18497 164.4
[M]- 266.18607 164.4
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.