CID 135493931

Nsc684048

Structural Information

Molecular Formula
C6H11N7O
SMILES
CNC(=O)C1=C(N=CN1)/N=N/N(C)N
InChI
InChI=1S/C6H11N7O/c1-8-6(14)4-5(10-3-9-4)11-12-13(2)7/h3H,7H2,1-2H3,(H,8,14)(H,9,10)/b12-11+
InChIKey
YAISKKCLVGFVMQ-VAWYXSNFSA-N
Compound name
4-[(E)-[amino(methyl)amino]diazenyl]-N-methyl-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10251 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10979 139.2
[M+Na]+ 220.09173 145.1
[M-H]- 196.09523 143.2
[M+NH4]+ 215.13633 156.9
[M+K]+ 236.06567 145.9
[M+H-H2O]+ 180.09977 129.7
[M+HCOO]- 242.10071 168.9
[M+CH3COO]- 256.11636 199.4
[M+Na-2H]- 218.07718 145.7
[M]+ 197.10196 137.6
[M]- 197.10306 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.