CID 9561035

5407-73-8

Structural Information

Molecular Formula
C7H8N4O4
SMILES
CNC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O4/c1-8-7(12)10-9-4-5-2-3-6(15-5)11(13)14/h2-4H,1H3,(H2,8,10,12)/b9-4+
InChIKey
LDNQJZXSVZSVNA-RUDMXATFSA-N
Compound name
1-methyl-3-[(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 141.4
[M+Na]+ 235.04377 146.9
[M-H]- 211.04727 147.3
[M+NH4]+ 230.08837 159.0
[M+K]+ 251.01771 143.7
[M+H-H2O]+ 195.05181 138.7
[M+HCOO]- 257.05275 171.5
[M+CH3COO]- 271.06840 186.0
[M+Na-2H]- 233.02922 150.4
[M]+ 212.05400 140.7
[M]- 212.05510 140.7
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.