CID 9570079

Guanofuracin

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

2
References

8
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

patents stripe