CID 9570079

2-((5-nitrofuran-2-yl)methylene)hydrazinecarboximidamide hydrochloride

Structural Information

Molecular Formula
C6H7N5O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/N=C(N)N
InChI
InChI=1S/C6H7N5O3/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13/h1-3H,(H4,7,8,10)/b9-3+
InChIKey
ZGJOBTCQXNGPBN-YCRREMRBSA-N
Compound name
2-[(E)-(5-nitrofuran-2-yl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

197.05489 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06217 136.5
[M+Na]+ 220.04411 142.0
[M-H]- 196.04761 142.8
[M+NH4]+ 215.08871 154.5
[M+K]+ 236.01805 138.7
[M+H-H2O]+ 180.05215 133.3
[M+HCOO]- 242.05309 167.9
[M+CH3COO]- 256.06874 187.9
[M+Na-2H]- 218.02956 144.7
[M]+ 197.05434 133.2
[M]- 197.05544 133.2
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.