CID 135599734

4-(3,3-diethyltriazeno)-5-nitroimidazole

Structural Information

Molecular Formula
C7H12N6O2
SMILES
CCN(CC)/N=N/C1=C(NC=N1)[N+](=O)[O-]
InChI
InChI=1S/C7H12N6O2/c1-3-12(4-2)11-10-6-7(13(14)15)9-5-8-6/h5H,3-4H2,1-2H3,(H,8,9)/b11-10+
InChIKey
NCDIUSQDEWJYNR-ZHACJKMWSA-N
Compound name
N-ethyl-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10217 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10945 142.3
[M+Na]+ 235.09139 150.9
[M+NH4]+ 230.13599 148.3
[M+K]+ 251.06533 151.4
[M-H]- 211.09489 144.8
[M+Na-2H]- 233.07684 147.3
[M]+ 212.10162 143.6
[M]- 212.10272 143.6
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.