CID 9561034

6281-25-0

Structural Information

Molecular Formula
C7H8N4O4
SMILES
CN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O4/c1-10(7(8)12)9-4-5-2-3-6(15-5)11(13)14/h2-4H,1H3,(H2,8,12)/b9-4+
InChIKey
HPCZKRCCVQJKGG-RUDMXATFSA-N
Compound name
1-methyl-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06183 142.3
[M+Na]+ 235.04377 147.9
[M-H]- 211.04727 149.1
[M+NH4]+ 230.08837 160.2
[M+K]+ 251.01771 145.8
[M+H-H2O]+ 195.05181 139.5
[M+HCOO]- 257.05275 172.3
[M+CH3COO]- 271.06840 189.4
[M+Na-2H]- 233.02922 149.4
[M]+ 212.05400 141.9
[M]- 212.05510 141.9
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.