CID 135460287

Nsc 70874

Structural Information

Molecular Formula
C9H16N6O
SMILES
CCCCN(C)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+
InChIKey
MNYIKAMATCANTQ-BUHFOSPRSA-N
Compound name
4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.13857 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14585 149.7
[M+Na]+ 247.12779 155.2
[M-H]- 223.13129 153.2
[M+NH4]+ 242.17239 166.8
[M+K]+ 263.10173 155.1
[M+H-H2O]+ 207.13583 140.3
[M+HCOO]- 269.13677 177.5
[M+CH3COO]- 283.15242 203.8
[M+Na-2H]- 245.11324 154.2
[M]+ 224.13802 150.1
[M]- 224.13912 150.1
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.